| Journal of Physical Chemistry B 2008 |
| Title | Subject | Authors |
|---|
| 2-Aminopurine excited state electronic structure measured by Stark spectroscopy. | Chemicals, plastics and rubber industries | Robert J. Stanley, Spiridoula Matsika, Goutham Kodali, Kurt A. Kistler |
| Ab initio study of naphtho-homologated DNA bases. | Chemicals, plastics and rubber industries | Bobby G. Sumpter, Modesto Orozco, F. Javier Luque, Miguel Fuentes-Cabrera, Alvaro Vazquez-Mayagoita, Oscar Huertas |
| A classical point charge model study of system size dependence of oxidation and reorganization free energies in aqueous solution. | Chemicals, plastics and rubber industries | Michiel Sprik, Regla Ayala |
| A comparative study of structural, acidic and hydrophilic properties of Sn-BEA with Ti-BEA using periodic density functional theory. | Chemicals, plastics and rubber industries | Annick Goursot, Sourav Pal, Sharan Shetty, Bhakti S. Kulkarni, Dilip G. Kanhere |
| A diffusive anomaly of water in aqueous sodium chloride solutions at low temperatures. | Chemicals, plastics and rubber industries | Arun Yethiraj, Jun Soo Kim |
| Adsorption of heterogeneously charged nanoparticles on a variably charged surface by the extended surface complexation approach: charge regulation, chemical heterogeneity, and surface complexation. | Chemicals, plastics and rubber industries | Luuk K. Koopal, Takumi Saito, Shinya Nagasaki, Satoru Tanaka |
| Adsorption of SDS and PEG on calcium fluoride studied by sum frequency generation vibrational spectroscopy.(sodium dodecyl sulfate, polyethylene glycol) | Chemicals, plastics and rubber industries | Paul B. Davies, Michael T.L. Casford |
| A facile method to fabricate ZnO hollow spheres and their photocatalytic property. | Chemicals, plastics and rubber industries | Min Chen, Limin Wu, Ziwei Deng, Guangxin Gu |
| Aggregation of ionic liquids [[C.sub.n]mim]Br (n=4, 6, 8, 10, and 12) in [D.sub.2]O: a NMR study. | Chemicals, plastics and rubber industries | Yang Zhao, Jianji Wang, Shanjiao Gao, Junming Tang |
| Aluminosilicate dissolution kinetics: a general stochastic model. | Chemicals, plastics and rubber industries | Li Zhang, Andreas Luttge |
| Amino acid adsorption on mesoporous materials: influence of types of amino acids, modification of mesoporous materials, and solution conditions. | Chemicals, plastics and rubber industries | Feng Deng, Yuhan Sun, Qiang Gao, Wujun Xu, Yao Xu, Dong Wu, Wanling Shen |
| A model for selective ion adsorption including van der Waals interaction. | Chemicals, plastics and rubber industries | L.R. Evangelista, R.N. Igarashi, H.A. Pereira, E.K. Lenzi |
| Analysis of multiple H-bond interactions in self-assembly between polyurethane with pendent carboxyl and poly(4-vinylpyridine). | Chemicals, plastics and rubber industries | Xiaozhen Yang, Zhiyong Ren, Senxiang Cheng, Guobao Zhang, Dezhu Ma |
| A new mechanism for methane production from methyl-coenzyme M reductase as derived from density functional calculations. | Chemicals, plastics and rubber industries | Michael L. McKee, Evert C. Duin |
| An H/D isotopic substitution study of the [H.sub.5][O.sub.2.sup.+].Ar vibrational predissociation spectra: exploring the putative role of Fermi resonances in the bridging proton fundamentals. | Chemicals, plastics and rubber industries | Mark A. Johnson, Laura R. McCunn, Joseph R. Roscioli, Anne B. McCoy |
| An improved multistate empirical valence bond model for aqueous proton solvation and transport. | Chemicals, plastics and rubber industries | Gregory A. Voth, Feng Wang, Yujie Wu, Francesco Paesani, Hanning Chen |
| An investigation of water dynamics in binary mixtures of water and dimethyl sulfoxide. | Chemicals, plastics and rubber industries | Nancy E. Levinger, Branka M. Ladanyi, Michael R. Harpham |
| Anomalous fluctuations in sliding motion of cytoskeletal filaments driven by molecular motors: model simulations. | Chemicals, plastics and rubber industries | Yasuhiro Imafuku, Namiko Mitarai, Katsuhisa Tawada, Hiizu Nakanishi |
| Anomalously slow solvent structural accompanying high-energy rotational relaxation. | Chemicals, plastics and rubber industries | Richard M. Stratt, Guohua Tao |
| A partially substituted calix[4]resorcarene receptor and its selective recognition for soft metal cations (silver and mercury). | Chemicals, plastics and rubber industries | Angela F. Danil de Namor, Jinane K. Chaaban |
| Application of computer simulation free-energy methods to compute the free energy of micellization as a function of micelle composition. 1. Theory. | Chemicals, plastics and rubber industries | Brian C. Stephenson, Kenneth J. Beers, Daniel Blankschtein, Kate A. Stafford |
| Application of computer simulation free-energy methods to compute the free energy of micellization as a function of micelle composition. 2. Implementation. | Chemicals, plastics and rubber industries | Brian C. Stephenson, Kenneth J. Beers, Daniel Blankschtein, Kate A. Stafford |
| A predictive approach to correlating protein adsorption isotherms on ion-exchange media. | Chemicals, plastics and rubber industries | Abraham M. Lenhoff, Xuankuo Xu |
| A quantitative coarse-grain model for lipid bilayers. | Chemicals, plastics and rubber industries | Jonathan W. Essex, Mario Orsi, David Y. Haubertin, Wendy E. Sanderson |
| Assessment of multicoefficient correlation methods, second-order Moller-Plesset perturbation theory, and density functional theory for [H.sub.3][O.sup.+][([H.sub.2]O).sub.n] (n = 1-5) and O[H.sup.-][([H.sub.2]O).sub.n] (n = 1-4). | Chemicals, plastics and rubber industries | Donald G. Truhlar, Erin E. Dahlke, Michelle A. Orthmeyer |
| A tale of two ions: the conformational landscapes of bis(trifluoromethanesulfonyl)amide and N,N-dialkylpyrrolidinium. | Chemicals, plastics and rubber industries | Agilio A.H. Padua, Jose N. Canongia Lopes, Kenta Fujii, Yasuhiro Umebayashi, Shin-ichi Ishiguro, Shuhei Fukuda, Karina Shimizu |
| Atomic detail investigation of the structure and dynamics of DNA-RNA hybrids: a molecular dynamics study. | Chemicals, plastics and rubber industries | Alexander D. Mackerell Jr., U. Deva Priyakumar |
| Atomic force microscopic study of low temperature disassembly of RecA-dsDNA filaments. | Chemicals, plastics and rubber industries | Li Wang, Zhuang Li, Tao Yang, Yonghai Song, Lanlan Sun, Cunlan Guo, Yujing Sun, Chongyang Peng, Zhelin Liu |
| Atomistic simulation of the absorption of carbon dioxide and water in the ionic liquid 1-n-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([hmim][T[f.sub.2]N]. | Chemicals, plastics and rubber industries | Edward J. Maginn, Wei Shi |
| Attractive strain: the disadvantages of rigid multiple H-bond donors and acceptors. A theoretical analysis of the hydrogen-bonding interactions in complexes of tetraazaanthracenedione with pyridylureas. | Chemicals, plastics and rubber industries | J.J. Dannenberg, Juan Bertran, Antonia Oliva |
| Behavior of liquid crystals confined to mesoporous materials as studied by [super 13]C NMR spectroscopy of methyl iodide and methane as probe molecules. | Chemicals, plastics and rubber industries | Jukka Jokisaari, Pekka Tallavaara |
| Behavior of surfactant molecules near the critical micelle concentration: a statistical treatment. | Chemicals, plastics and rubber industries | Harald Morgner |
| [Be.sup.2} hydration in concentrated aqueous solutions of Be[Cl.sub.2]. | Chemicals, plastics and rubber industries | John W. Brady, Philip E. Mason, George W. Neilson, Stuart Ansell |
| Biasing the center of charge in molecular dynamics simulations with empirical valence bond models: free energetics of an excess proton in a water droplet. | Chemicals, plastics and rubber industries | Christoph Dellago, Jurgen Kofinger |
| Bridging like-charged macroions through long divalent rodlike ions. | Chemicals, plastics and rubber industries | Jurij Rescic, Sylvio May, Klemen Bohinc, Ales Iglic, Stefano Maset |
| Canonical variational transition-state theory study of the C[F.sub.3]C[H.sub.2]C[H.sub.3] + OH reaction. | Chemicals, plastics and rubber industries | Jose M. Lluch, Angels Gonzalez-Lafont, Adrian Varela-Alvarez, Jose A. Sordo |
| Characterization of nanostructure and cell compatibility of polyaniline films with different dopant acids. | Chemicals, plastics and rubber industries | Hua-jie Wang, Li-wen Ji, Da-feng Li, Jin-Ye Wang |
| Characterizing nitrilimines with nuclear magnetic resonance spectroscopy. | Chemicals, plastics and rubber industries | Gilles H. Peslherbe, Robert C. Mawhinney, Heidi M. Muchall |
| Charge asymmetries in hydration of polar solutes. | Chemicals, plastics and rubber industries | Ken A. Dill, David L. Mobley, Alan E. Barber II, Christopher J. Fennell |
| Charge separation in acridine- and phenothiazine-modified DNA. | Chemicals, plastics and rubber industries | Kiyohiko Kawai, Tetsuro Majima, Mamoru Fujitsuka, Yasuko Osakada |
| Charge-transfer excitons in DNA. | Chemicals, plastics and rubber industries | E.M. Conwell, P.M. McLaughlin, S.M. Bloch |
| Charge-transfer transitions in the vacuum-ultraviolet of protein circular dichroism spectra. | Chemicals, plastics and rubber industries | Jonathan D. Hirst, Benjamin M. Bulheller, Andrew J. Miles, B.A. Wallace |
| Cholesterol location and orientation in aqueous suspension of large unilamellar vesicles of phospholipid revealed by intermolecular nuclear Overauser effect. | Chemicals, plastics and rubber industries | Masaru Nakahara, Nobuyuki Matubayasi, Chihiro Wakai, Cristiano Giordani, Emiko Okamura, Ken Yoshida |
| Chromophore/DNA interactions: femto- to nanosecond spectroscopy, NMR structure, and electron transfer theory. | Chemicals, plastics and rubber industries | Alexander A. Voityuk, Heike Neubauer, Jennifer Tuma, Till von Feilitzsch, Laurent Verdier, Reinhard Haselsberger, Reiner Feick, Gagik Gurzadyan, Christian Griesinger, Maria E. Michel-Beyerle |
| Compaction process of calf thymus DNA by mixed cationic-zwitterionic liposomes: a physicochemical study. | Chemicals, plastics and rubber industries | Emilio Aicart, Oscar Llorca, Elena Junquera, Alberto Rodriguez-Pulido |
| Comparing effectiveness of rhamnolipid biosurfactant with a quaternary ammonium salt surfactant for hydrate anti-agglomeration. | Chemicals, plastics and rubber industries | Abbas Firoozabadi, J. Dalton York |
| Comparison of approximate quantum simulation methods applied to normal liquid helium at 4 K. | Chemicals, plastics and rubber industries | Peter J. Rossky, David E. Manolopoulos, Jens A. Poulsen, Tyler D. Hone |
| Comparison pf photophysical properties of the hemicyanine dyes in ionic and nonionic solvents. | Chemicals, plastics and rubber industries | Doseok Kim, Myoung Hee Lee, Taekyu Shim, Yukio Ouchi |
| Competitive adsorption from mixed hen egg-white lysozyme/surfactant solutions at the air-water interface studied by tensiometry, ellipsometry, and surface dilational rheology. | Chemicals, plastics and rubber industries | V.B. Fainerman, H. Mohwald, E.V. Aksenenko, R. Miller, V.S. Alahverdjieva, D.O. Grigoriev |
| Complexation of flavonoids with iron: structure and optical signatures. | Chemicals, plastics and rubber industries | Efthimios Kaxiras, Jun Ren, Sheng Meng, Ch.E. Lekka |
| Computational prediction of absorbance maxima for a structurally diverse series of engineered green fluorescent protein chromophores. | Chemicals, plastics and rubber industries | Robert E. Campbell, Qadir K. Timerghazin, Haley J. Carlson, Chen Liang, Alex Brown |
| Conducting polymers as antennas for probing biophysical activities. | Chemicals, plastics and rubber industries | K.S. Narayan, N. Arun |
| Conformational change detection of DNA with the fluorogenic reagent of o-phthaladehyde-[beta]-mercaptoethanol. | Chemicals, plastics and rubber industries | Yun Fei Long, Cheng Zhi Huang, Yuan Fang Li, Qie Gen Liao, Jian Ling |
| Continuum simulations of acetylcholine consumption by acetylcholinesterase: a Poisson-Nernst-Planck approach. | Chemicals, plastics and rubber industries | Y.C. Zhou, Benzhuo Lu, Gary A. Huber, Michael J. Holst, J. Andrew McCommon |
| Controlled electrophoretic deposition of uniquely nanostructured star polymer films. | Chemicals, plastics and rubber industries | Eva Harth, Suseela Somarajan, Saad A. Hasan, Chinessa T. Adkins, James H. Dickerson |
| Core-shell structure of degradable, thermosensitive polymeric micelles studied by small-angle neutron scattering. | Chemicals, plastics and rubber industries | Aissa Ramzi, Cristianne J.F. Rijcken, Theo F.J. Veldhuis, Dietmar Schwahn, Wim E. Hennink, Cornelus F. van Nostrum |
| Correlation between colloidal stability and surfactant adsorption/association phenomena studied by light scattering. | Chemicals, plastics and rubber industries | Massimo Morbidelli, Marco Lattuada, Hua Wu, Alessio Zaccone |
| Cylinder-forming triblock terpolymer in nanopores: a Monte Carlo simulation study. | Chemicals, plastics and rubber industries | Haojun Liang, Peng Chen |
| Cylindrical projection of electrostatic potential and image analysis tools for damaged DNA: the substitution of thymine with thymine glycol. | Chemicals, plastics and rubber industries | Maciej Gutowski, Maciej Haranczyk, Giovanni Lupica, Iwona Dabkowska |
| Deformation of a sheet with coupling between elasticity and concentration. | Chemicals, plastics and rubber industries | Anand Jagota, Constantine Khripin, Tian Tang |
| Densely stacked multilamellar and oligovesicular vesicles, bilayer cylinders, and tubes joining with vesicles of a salt-free catanionic extractant and surfactant system. | Chemicals, plastics and rubber industries | Jingcheng Hao, Sixiu Sun, Zhilei Yin, Zaiwu Yuan |
| Dependence of the L-alanyl-L-alanine conformation on molecular charge determined from ab initio computations and NMR spectra. | Chemicals, plastics and rubber industries | Petr Bour, Vladimir Sychrovsky, Zuzana Vokacova, Milos Budesinsky, Ladislav Benda, Vlamidir Spirko, Jaroslav Sebestik |
| Designing carbon nanotube membranes for efficient water desalination. | Chemicals, plastics and rubber industries | Ben Corry |
| Design of a new warhead for the natural enediyne dynemicin A. An increase of biological activity. | Chemicals, plastics and rubber industries | Tell Tuttle, Elfi Kraka, Dieter Cremer |
| Determinants of thermal conductivity and diffusivity in nanostructural semiconductors. | Chemicals, plastics and rubber industries | C.C. Yang, S. Li, J. Armellin |
| Determination of conformational preferences of dipeptides using vibrational spectroscopy. | Chemicals, plastics and rubber industries | Joze Grdadolnik, Simona Golic Grdadolnik, Franc Avbelj |
| Determining thermodynamic parameters from isothermal calorimetric isotherms of the binding of macromolecules to metal cations originally chelated by a weak ligand. | Chemicals, plastics and rubber industries | Lian Hong, William D. Bush, Lanying Q. Hatcher, John Simon |
| Dielectric and calorimetric study of orientationally disordered phases in two unusual two-component systems. | Chemicals, plastics and rubber industries | S.S.N. Murthy, L.P. Singh |
| Dielectric dispersion interpretation of single enzyme dynamic disorder, spectral diffusion, and radiative fluorescence lifetime. | Chemicals, plastics and rubber industries | R.A. Marcus, Meher K. Prakash |
| Dielectric relaxation of aqueous solutions of hydrophilic versus amphiphilic peptides. | Chemicals, plastics and rubber industries | Teresa Head-Gordon, Rajesh K. Murarka |
| Diffusion in nanoporous phases: size dependence and levitation effect. | Chemicals, plastics and rubber industries | S. Yashonath, Pradip Kr. Ghorai |
| Diffusionless crystal growth from glass has precursor in equilibrium liquid. | Chemicals, plastics and rubber industries | M.D. Ediger, Lian Yu, Ye Sun, Hanmi Xi |
| Diffusion of dextran probes in a self-assembled fibrous gel composed of two-dimensional arborols. | Chemicals, plastics and rubber industries | Jirun Sun, Bethany F. Lyles, Keunok Han Yu, Jaime Weddell, John Pople, Max Hetzer, Daniel De Kee, Paul S. Russo |
| Diffusion of metal complexes inside of silica-surfactant nanochannels within a porous alumina membrane. | Chemicals, plastics and rubber industries | Akira Yamaguchi, Norio Teramae, Yong Chen, Moataz M. Mekawy, Shintaro Suzuki, Kotaro Morita |
| Dipolar ordering in the ripple phases of molecular-scale models of lipid membranes. | Chemicals, plastics and rubber industries | J. Daniel Gezelter, Xiuquan Sun |
| Direction control of chemical wave propagation in self-oscillating gel array. | Chemicals, plastics and rubber industries | Ryo Yoshida, Shinji Tateyama, Yasushi Shibuta |
| Distance dependent coherence variation in DNA charge-transfer processes. | Chemicals, plastics and rubber industries | Heeyoung Kim, Eunji Sim |
| DNA-surfactant interactions: a procedure for determination group contributions. | Chemicals, plastics and rubber industries | Elia Grueso, Francisco Sanchez |
| Dynamic instability of a sol-gel derived thin film. | Chemicals, plastics and rubber industries | S. Joon Kwon, Jae-Gwan Park |
| Dynamics in the DNA recognition by DAPI: exploration of the various binding modes.(4',6-diamidino-2-phenylindole) | Chemicals, plastics and rubber industries | Samir Kumar Pal, Debapriya Banerjee |
| Dynamics of cellulose-water interfaces: NMR spin-lattice relaxation time calculated from atomistic computer simulations. | Chemicals, plastics and rubber industries | Lars A. Berglund, Karim Mazeau, Malin Bergenstrahle, Jakob Wohlert, Per Tomas Larsson |
| Dynamics of water in [Na.sub.x]Co[O.sub.2.]y[H.sub.2]O. | Chemicals, plastics and rubber industries | Heloisa N. Bordallo, Jorg Pieper, Dimitri N. Argyriou, Niina Jalarvo, Nadir Aliouane, Mark A. Adams |
| Effect of anions on static orientational correlations, hydrogen bonds, and dynamics in ionic liquids: a simulational study. | Chemicals, plastics and rubber industries | Christian Holm, Baofu Qiao, Christian Krekeler, Robert Berger, Luigi Delle Site |
| Effect of [beta]-cyclodextrin charge type on the molecular recognition thermodynamics of reactions with (ferrocenylmethyl)dimethylaminium derivatives. | Chemicals, plastics and rubber industries | Yu Liu, Rui Cao, Yong Chen, Jia-Yue He |
| Effect of chain conformational change on micelle structures: experimental studies and molecular dynamics simulations. | Chemicals, plastics and rubber industries | Jianping Lin, Liangshun Zhang, Shaoliang Lin, Weiwei Ding |
| Effect of ions on a dipalmitoyl phosphatidylcholine bilayer: a molecular dynamics simulation study. | Chemicals, plastics and rubber industries | Olle Edholm, Juan J. Perez, Aranau Cordomi |
| Effect of NaCl and KCl on phosphatidylcholine and phosphatidylethanolamine lipid membranes: insight from atomic-scale simulations for understanding salt-induced effects in the plasma membrane. | Chemicals, plastics and rubber industries | Ilpo Vattulainen, Andrey A. Gurtovenko |
| Effect of nonpolar solvents on the solute rotation and solvation dynamics in an imidazolium ionic liquid. | Chemicals, plastics and rubber industries | Anunay Samanta, Aniruddha Paul |
| Effect of temperature, pressure, and cosolvents on structural and dynamic properties of the hydration shell of SNase: a molecular dynamics computer simulation study. | Chemicals, plastics and rubber industries | Roland Winter, Nikolai Smolin |
| Effect of the addition of polyelectrolytes on monolayers of carboxybetaines. | Chemicals, plastics and rubber industries | Cristina Delgado, M. Dolores Merchan, M. Mercedes Velazquez |
| Effect of ultrasound frequency on pulsed sonolytic degradation of octylbenzene sulfonic acid. | Chemicals, plastics and rubber industries | Linda K. Weavers, James F. Rathman, Limei Yang, Joe Z. Sostaric |
| Effects of pyrophosphate ions of protein adsorption onto calcium hydroxyapatite. | Chemicals, plastics and rubber industries | Kazuhiko Kandori, Shohei Oda, Shintaro Tsuyama |
| Effects of salts and ethanol on the population and morphology of triblock copolymer micelles in solution. | Chemicals, plastics and rubber industries | A.G. Denkova, E. Mendes, M.-O. Coppens |
| Effects of the inclusion of the spin label 10-doxyl-stearic acid on the structure and dynamics of model bilayers in water: stearic acid and stearic acid/cholesterol (50:20). | Chemicals, plastics and rubber industries | Daniel E. Rodrigues, Alberto S. Garay |
| Elastic constants and related mechanical properties of the monoclinic polymorph of the carbamazepine molecular crystal. | Chemicals, plastics and rubber industries | Craig J. Eckhardt, Himansu Mohapatra |
| Elastic properties of soft sphere crystal from Monte Carlo simulations. | Chemicals, plastics and rubber industries | Konstantin V. Tretiakov, Krzysztof W. Wojciechowski |
| Electric transport and ion binding in solutions of fullerenehexamalonic acid [T.sub.h]-[C.sub.66][(COOH).sub.12] and its alkali and calcium salts. | Chemicals, plastics and rubber industries | Janez Cerar, Joze Skerjanc |
| Electronic and conformational properties of the conjugated polymer MEH-PPV at a buried film/solid interface investigated by two-dimensional IR-visible sum frequency generation. | Chemicals, plastics and rubber industries | Qifeng Li, Rui Hua, Keng C. Chou |
| Electronic structure of the acetonitrile and acetonitrile dimmer anions: a topological investigation. | Chemicals, plastics and rubber industries | Qadir K. Timerghazin, Gilles H. Peslherbe |
| Electronic transition dipole moment directions of reduced anionic flavin in stretched poly(vinyl alcohol) films. | Chemicals, plastics and rubber industries | Robert J. Stanley, M. Salim Siddiqui U., Goutham Kodali |
| Electron transfer and electrocatalytic properties of the immobilized methionine80alanine cytochrome c variant. | Chemicals, plastics and rubber industries | Gianantonio Battistuzzi, Marco Borsari, Carlo Augusto Bortolotti, Antonio Ranieri, Marco Sola, Stefano Casalini |
| Electron transfer between guanosine radicals and amino acids in aqueous solution. II. Reduction of guanosine radicals by tryptophan. | Chemicals, plastics and rubber industries | Olga B. Morozova, Alexandra V. Yurkovskaya, Alexey S. Kiryutin |
| Electron-transfer reactions in supercritical water. | Chemicals, plastics and rubber industries | Youngseon Shim, Hyung J. Kim |
| Energetics and role of the hydrophobic interaction during photoreaction of the BLUF domain of AppA. | Chemicals, plastics and rubber industries | Klaas J. Hellingwerf, Partha Hazra, Masahide Terazima, Keiichi Inoue, Wouter Laan |
| Equation of state for the phase coexistence region of insoluble monolayers under consideration of the entropy nonideality. | Chemicals, plastics and rubber industries | D. Vollhardt, V.B. Fainerman |
| Evaluation of blue and green absorbing proteorhodopsins as holographic materials. | Chemicals, plastics and rubber industries | Gregg Whited, Jeffrey A. Stuart, Robert R. Birge, Bangwei Xi, William C. Tetley, Duane L. Marcy, Cheng Zhong |
| Evidence for coupling between nitrile groups using DNA templates: a promising new method for monitoring structures with infrared spectroscopy. | Chemicals, plastics and rubber industries | Martin T. Zanni, Amber T. Krummel |
| Examination of cucurbit[7]uril and its host-guest complexes by diffusion nuclear magnetic resonance. | Chemicals, plastics and rubber industries | William S. Price, P.G. Anil Kumar, Nial J. Wheate, Allan M. Torres, Janice R. Aldrich-Wright |
| Excitation wavelength-dependent electron-phonon and electron-vibrational coupling in the CP29 antenna complex of green plants. | Chemicals, plastics and rubber industries | Arvi Freiberg, Margus Ratsep, Jorg Pieper, Klaus-Dieter Irrgang |
| Excited-state absorption and sign tuning of nonlinear refraction in porphyrin derivatives. | Chemicals, plastics and rubber industries | Li Jiang, Huibiao Liu, Yuliang Li, Yinglin Song, Tonggang Jiu, Yunbo Li, Junyi Yang, Junbo Li, Cuihong Li |
| Fluorescence emission of Disperse Red 1 in solution at room temperature. | Chemicals, plastics and rubber industries | Florencio E. Hernandez, Carlos Toro, Arthur Thibert, Leonardo De Boni, Artem E. Masunov |
| Fluorescent II-VI semiconductor quantum dots in living cells: nonlinear microspectroscopy in an optical tweezers system. | Chemicals, plastics and rubber industries | Patricia M.A. Farias, Beate S. Santos, Andre A. de Thomaz, Ricardo Ferreira, Frederico D. Menezes, Carlos L. Cesar, Adriana Fontes |
| Formation of sugar radicals in RNA model systems and oligomers via excitation of guanine cation radical. | Chemicals, plastics and rubber industries | Michael D. Sevilla, Anil Kumar, Amitava Adhikary, Deepti Khanduri, Sean Collins |
| Furfuryl alcohol polymerization in H-Y confined spaces: reaction mechanism and structure of carbocationic intermediates. | Chemicals, plastics and rubber industries | A. Zecchina, A. Damin, S. Bertarione, F. Bonino, F. Cesano, D. Scarano |
| Glutamic acid cation based ionic liquids: microwave synthesis, characterization, and theoretical study. | Chemicals, plastics and rubber industries | Wei Li, Hua Rong, Zhongyuan Chen, Xinmin Wu |
| Guanine crystals: a first principles study. | Chemicals, plastics and rubber industries | F. Bechstedt, F. Ortmann, K. Hannewald |
| Half-metallicity in undoped and boron doped graphene nanoribbons in the presence of semilocal exchange-correlation interactions. | Chemicals, plastics and rubber industries | Swapan K. Pati, Sudipta Dutta |
| Heterogeneous crystal growth of methane hydrate on its sII [001] crystallographic face. | Chemicals, plastics and rubber industries | Peter G. Kusalik, Jenel Vatamanu |
| Heterogeneous nucleation of nitric acid trihydrate on clay minerals: relevance to Type Ia polar stratospheric clouds. | Chemicals, plastics and rubber industries | Margaret A. Tolbert, Owen B. Toon, Courtney D. Hatch, Raina V. Gough |
| How could and do microwaves influence chemistry at interfaces? | Chemicals, plastics and rubber industries | Wm. Curtis Conner, Geoffrey A. Tompsett |
| How does water affect the dynamics of the room-temperature ionic liquid 1-hexyl-3-methylimidazolium hexafluorophosphate and the fluorescence spectroscopy of coumarin-153 when dissolved in it? | Chemicals, plastics and rubber industries | Zhonghan Hu, Claudio J. Margulis, Hardha V.R. Annapurredy, Juanchao Xia |
| How the environment controls absorption and fluorescence spectra of PRODAN: a quantum-mechanical study in homogeneous and heterogeneous media. | Chemicals, plastics and rubber industries | Chiara Cappelli, Francesca Ingrosso, Benedetta Mennucci, Jacopo Tomasi, Roberto Cammi, Giovanni Scalmani, Michael J. Frisch, Marco Caricato |
| Hydration of simple amides. FTIR spectra of HDO and theoretical studies. | Chemicals, plastics and rubber industries | Maciej Smiechowski, Emilia Gojlo, Aneta Panuszko, Jan Zielkiewicz, Joanna Krakowiak, Janusz Strangret |
| Hydrogen-bond structure and dynamics at the interface between water and carboxylic acid-functionalized self-assembled monolayers. | Chemicals, plastics and rubber industries | Ilan Benjamin, John Vieceli, Nicolas Winter |
| Hydrogen physisorption on the organic linker in metal organic frameworks: ab initio computational study. | Chemicals, plastics and rubber industries | Barry D. Dunietz, Miguel Wong, Corneliu Buda |
| Ideal gas solubilities and solubility selectivities in a binary mixture of room-temperature ionic liquids. | Chemicals, plastics and rubber industries | Richard D. Noble, Alexia Finotello, Jason E. Bara, Suguna Narayan, Dean Camper |
| Importance of polarization in quantum mechanics/molecular mechanics descriptions of electronic excited states: NaI[([H.sub.2]O).sub.n] photodissociation dynamics as a case study. | Chemicals, plastics and rubber industries | Gilles H. Peslherbe, Denise M. Koch |
| Improved interaction potentials for charged residuals in proteins. | Chemicals, plastics and rubber industries | Kasper P. Jensen |
| Improving the performance of the coupled reference interaction site model-hyper-netted chain (RISM-HNC)/simulation method for free energy of solvation. | Chemicals, plastics and rubber industries | Thanh N. Truong, Holly Freedman, Ly Le, Jack A. Tuszynski |
| Inclusion-mediated lipid organization in supported membranes on a patterned substrate. | Chemicals, plastics and rubber industries | Qing Liang, Yu-qiang Ma |
| Influence of Go-like interactions on global shapes of energy landscapes in [beta]-barrel forming model proteins: inherent structure analysis and statistical temperature molecular dynamics simulation. | Chemicals, plastics and rubber industries | Thomas Keyes, Jaegil Kim |
| Influence of Go-like interactions on global shapes of energy landscapes in [beta]-barrel forming model proteins: inherent structure analysis and statistical temperature molecular dynamics simulation. | Chemicals, plastics and rubber industries | Thomas Keyes, Jaegil Kim |
| Influence of pH on the aggregation morphology of a novel surfactant with single hydrocarbon chain and multi-amine headgroups. | Chemicals, plastics and rubber industries | Wei Wang, Long Jiang, Wensheng Lu |
| Influence of substrate treatment on self-organized pattern formation by Langmuir-Blodgett transfer. | Chemicals, plastics and rubber industries | Harald Fuchs, Lifeng Chi, Michael Hirtz |
| Insights into ligand selectivity in estrogen receptor isoforms: molecular dynamics simulations and binding free energy calculations. | Chemicals, plastics and rubber industries | Hualiang Jiang, Juan Zeng, Weihua Li, Yaxue Zhao, Guixia Liu, Yun Tang |
| Interaction of ethylene oxide-propylene oxide copolymers with ionic surfactants studied by calorimetry: random versus block copolymers. | Chemicals, plastics and rubber industries | Watson Loh, Anna Niemiec |
| Interactions between sulfobetaine-based polyzwitterions and polyelectrolytes. | Chemicals, plastics and rubber industries | Pascaline Mary, Denis D. Bendejacq |
| Intermolecular forces and the glass transition. | Chemicals, plastics and rubber industries | Peter G. Wolynes, Randall W. Hall |
| Ion chemistry of 1H-1,2,3-triazole . | Chemicals, plastics and rubber industries | Takatoshi Ichino, Django H. Andrews, G. Jeffery Rathbone, Fuminori Misaizu, Ryan M. D. Calvi, Scott W. Wren, Shuji Kato, Veronica M. Bierbaum, W. Carl Lineberger |
| Label-free coherent anti-Stokes Raman scattering imaging of coexisting lipid domains in single bilayers. | Chemicals, plastics and rubber industries | Ji-Xin Cheng, Li Li |
| Lateral diffusion of proteins in the plasma membrane: spatial tessellation and percolation theory. | Chemicals, plastics and rubber industries | Arun Yethiraj, Bong June Sung |
| Ligand-to-metal charge-transfer dynamics in a blue copper protein plastocyanin: a molecular dynamics study. | Chemicals, plastics and rubber industries | Koji Ando |
| Light scattering and luminescence studies on self-aggregation behavior of amphiphilic copolymer micelles. | Chemicals, plastics and rubber industries | Qing-Hua Xu, Xu Li, Kian Ping Loh, Zhi-Kuan Chen, Jun Hong Yao, Khine Yi Mya, Manoj Parameswaran |
| Long-range proton transfer in aqueous acid-base reactions. | Chemicals, plastics and rubber industries | H. J. Bakker, M. J. Cox, B. J. Siwick |
| Magnesium isotope effects in enzymatic phosphorylation. | Chemicals, plastics and rubber industries | Anatoly L. Buchachenko, Dmitry A. Kouznetsov, Natalia N. Breslavskaya, Marina A. Orlova |
| Magnetic field control of electron tunneling pathways in the monolayer of (ferrocenylmethyl)dodecyl-dimethylammonium bromide on a gold electrode. | Chemicals, plastics and rubber industries | Govindachetty Saravanan, Sumino Ozeki |
| Mathematical model of current-polarized ionophore-based ion-selective membranes. | Chemicals, plastics and rubber industries | Jan Langmaier, Justin M. Zook, Richard P. Buck, Erno Lindner |
| MD study of [S.sub.N]1 reactivity of 2-chloro-2-methylpropane in the room-temperature ionic liquid 1-ethyl-methlimidazolium hexafluorophosphate. | Chemicals, plastics and rubber industries | Youngseon Shim, Hyung J. Kim |
| Measurement of the adsorption at solid-liquid interfaces from the pressure dependence of contact angles. | Chemicals, plastics and rubber industries | C.A. Ward, Jiyu Wu, A. Keshavarz |
| Mechanism of thioredoxin-catalyzed disulfide reduction. Activation of the buried thiol and role of the variable active-site residues. | Chemicals, plastics and rubber industries | Maria J. Ramos, Alexandra T.P. Carvalho, Pedro A. Fernandes, Marcel Swart, F. Matthias Bickelhaupt, Joost N.P. van Stralen |
| Mechanistic photodissociation of CO-ligated neuroglobin and subsequent rebinding processes: a theoretical study. | Chemicals, plastics and rubber industries | Wei-Hai Fang, Xin Ming |
| Meta and para effects in the ultrafast excited-state dynamics of the green fluorescent protein chromophores. | Chemicals, plastics and rubber industries | Yongbing Lou, Clemens Burda, Laren M. Tolbert, Jian Dong, Kyril M. Solntsev, Olivier Poizat, Julien Rehault |
| Metal bacteriochlorins which act as dual singlet oxygen and superoxide generators. | Chemicals, plastics and rubber industries | Karl M. Kadish, Shunichi Fukuzumi, Kei Ohkubo, Xiang Zheng, Yihui Chen, Ravindra K. Pandey, Riqiang Zhan |
| Metal-ligand-coordinated vesicles and vesicle-assisted preparation of calcium oxalate. | Chemicals, plastics and rubber industries | Jingcheng Hao, Aixin Song, Minmin Teng, Liping Liu |
| Metastability and instability of organic crystalline substances. | Chemicals, plastics and rubber industries | Stanislaw L. Randzio, Andrzej Kutner |
| Microsolvation of the sodium and iodide ions and their ion pair in acetonitrile clusters: a theoretical study. | Chemicals, plastics and rubber industries | Gilles H. Peslherbe, Tao-Nhan V. Nguyen, Sean R. Hughes |
| Modeling of aqueous poly(oxyethylene) solutions: 1. Atomistic simulations. | Chemicals, plastics and rubber industries | Alfons Geiger, Jan Fischer, Dietmar Paschek, Gabriele Sadowski |
| Molecular dynamics simulation of ss-DNA translocation between copper nanoelectrodes incorporating electrode charge dynamics. | Chemicals, plastics and rubber industries | Peter T. Cummings, Xiongce Zhao, Christina M. Payne, Lukas Vicek |
| Molecular dynamics simulation of the structure, dynamics, and thermostability of the RNA hairpins uCACGg and cUUCGg. | Chemicals, plastics and rubber industries | Gerhard Stock, Alessandra Villa, Elisabeth Widjajakusuma |
| Molecular dynamics simulations and thermodynamic modeling of the self-assembly of the triterpenoids asiatic acid and madecassic acid in aqueous solution. | Chemicals, plastics and rubber industries | Brian C. Stephenson, Daniel Blankschtein, Arthur Goldsipe |
| Molecular dynamics simulations of [beta]-cyclodextrin-aziadamantane complexes in water. | Chemicals, plastics and rubber industries | Andreas Kornherr, Bernhard Sellner, Gerhard Zifferer, Daniel Krois, Udo H. Brinker |
| Molecular dynamics study of polarization effects on AgI. | Chemicals, plastics and rubber industries | Joaquim Trullas, Vicente Bitrian |
| Molecular dynamics study of the interface between water and 2-nitrophenyl octyl ether. | Chemicals, plastics and rubber industries | Miguel Jorge, M. Cordeiro, D.S. Natalia |
| Molecular dynamics study of the stabilization of the silica hexamer [Si.sub.6][O.sub.15.sup.6-] in aqueous and methanolic solutions. | Chemicals, plastics and rubber industries | D.G. Vlachos, S. Caratzoulas |
| Molecular dynamics study to investigate the effect of chemical substitutions of methionine 35 on the secondary structure of the amyloid [beta] (A[beta](1-42)) monomer in aqueous solution. | Chemicals, plastics and rubber industries | Rajeev Prabhakar, Luciano Triguero, Rajiv Singh |
| Molecular environment and temperature dependence of hyperfine interactions in sugar crystal radicals from first principles. | Chemicals, plastics and rubber industries | E. Pauwels, M. Waroquier, R. Declerck, V. Van Speybroeck |
| Molecular recognition in terms of a dimensionless index. 2. Thermodynamic patterns of intermolecular interactions of PEG and its alcohol substrates. | Chemicals, plastics and rubber industries | Jian Chen |
| Molecular recognition with DNA nanoswitches: effects of single base mutations on structure. | Chemicals, plastics and rubber industries | J. Crain, C.P. Mountford, A.H. Buck, C.J. Campbell, P. Dickinson, E.E. Ferapontova, J.G. Terry, J.S. Beattie, A.J. Walton, P. Ghazal, A.R. Mount |
| Molecular simulations of solute transport in xylose isomerase crystals. | Chemicals, plastics and rubber industries | Kourosh Malek, Marc-Olivier Coppens |
| Molecular simulation study of peptide amphiphile self-assembly. | Chemicals, plastics and rubber industries | Samuel I. Stupp, Yuri S. Velichko, Monica Olvera de la Cruz |
| Momentum and velocity autocorrelation functions of a diatomic molecule are not necessarily proportional to each other. | Chemicals, plastics and rubber industries | Rigoberto Hernandez, Eli Pollak, Jeremy M. Moix |
| Monitoring biological membrane-potential changes: a Cl QM/MM study. | Chemicals, plastics and rubber industries | Harald Lanig, Timothy Clark, Olaf G. Othersen, Catalin F. Rusu, Carola Kryschi |
| Monte Carlo structure simulations for aqueous 1,4-dioxane solutions. | Chemicals, plastics and rubber industries | Peter I. Nagy, Krisztina Takacs-Novak, Gergely Volgyi |
| Multitechnique investigation of conformational features of small molecules: the case of methyl phenyl sulfoxide. | Chemicals, plastics and rubber industries | Giorgio Celebre, Giorgio Cinacchi, Guiseppina De Luca, Barbara M. Giuliano, Francesca Iemma, Sonia Melandri |
| Mutual solubilities of water and the [[C.sub.n]mim][[Tf.sub.2]N] hydrophobic ionic liquids. | Chemicals, plastics and rubber industries | Luis M.N.B.F. Santos, Joao A.P. Coutinho, Isabel M. Marrucho, Mara G. Freire, Pedro J. Carvalho, Ramesh L. Gardas |
| NMR studies of the [Zn.sup.2} interactions with rat and human [beta]-amyloid (1-28) peptides in water-micelle environment. | Chemicals, plastics and rubber industries | Elena Gaggelli, Henryk Kozlowski, Daniela Valensin, Gianni Valensin, Anna Janicka-Klos, Elzbieta Jankowska, Caterina Migliorini, Elena Molteni, Ewa Wieczerzak |
| Nonadiabatic proton/deuteron transfer within the benzophenone-triethylamine triplet contact radical ion pair: exploration of the influence of structure upon reaction. | Chemicals, plastics and rubber industries | Kevin S. Peters, Libby R. Heeb |
| Nonlinear optical and structural properties of Langmuir-Blodgett films of thiohelicenebisquinones. | Chemicals, plastics and rubber industries | Elina Vuorimaa, Helge Lemmetyinen, Mikael Siltanen, Petri Ihalainen, Jouko Peltonen, Martti Kauranen |
| Nonlinear response properties of ultralarge hyperpolarizability twisted [pi]-system donor-acceptor chromophores: dramatic environmental effects on response. | Chemicals, plastics and rubber industries | Mark A. Ratner, Tobin J. Marks, Eric C. Brown |
| On the molecular origins at volumetric data. | Chemicals, plastics and rubber industries | Tigran V. Chalikian |
| On the origin of the polar order of T4 lysozyme on planar model surfaces. | Chemicals, plastics and rubber industries | Thomas Risse, Kerstin Jacobsen |
| On the theory of time-resolved X-ray diffraction. | Chemicals, plastics and rubber industries | Klaus B. Moller, Niels E. Henriksen |
| Optimizing conical intersections without derivative coupling vectors: application to multistate multireference second-order perturbation theory (MS-CASPT2). | Chemicals, plastics and rubber industries | Todd J. Martinez, Benjamin G. Levine, Joshua D. Coe |
| Orientational order and rotational relaxation in the plastic crystal phase of tetrahedral molecules. | Chemicals, plastics and rubber industries | Rossend Rey |
| Oscillatory molecular driving force for protein folding at high concentration: a molecular simulation. | Chemicals, plastics and rubber industries | Zheng Liu, Diannan Lu |
| Oxidation of guanine in G, GG, and GGG sequence contexts by aromatic pyrenyl radical cations and carbonate radical anions: relationship between kinetics and distribution of alkali-labile lesions. | Chemicals, plastics and rubber industries | Vladimir Shafirovich, Nicholas E. Geacintov, Young Ae Lee, Alexander Durandin, Peter C. Dedon |
| Oxidation of organic films by beams of hydroxyl radicals. | Chemicals, plastics and rubber industries | G. Barney Ellison, John R. Morris, Donald E. David, Xu Zhang, Timothy M DEAndrea, Evan B. Jochnowitz, T. G. Lindeman, C. J. S. M. Simpson, Thomas J. Curtiss |
| Passive transport of [C.sub.60] fullerenes through a lipid membrane: a molecular dynamics simulation study. | Chemicals, plastics and rubber industries | Dmitry Bedrov, Grant D. Smith, Hemali Davande, Liwei Li |
| Pathways for conformational change in nitrogen regulatory protein C from discrete path sampling. | Chemicals, plastics and rubber industries | Mey Khalili, David J. Wales |
| Patterned immobilization of antibodies in mechanically induced cracks. | Chemicals, plastics and rubber industries | Anfeng Wang, Xuemei Liang, Haiying Tang, Gregory W. Auner, Steven O. Salley, K.Y. Simon Ng |
| Peptide hydrolysis by the binuclear zinc enzyme aminopeptidase from Aeromonas proteolytica: a density functional theory study. | Chemicals, plastics and rubber industries | Fahmi Himo, Nino Russo, Tiziana Marino, Shi-Lu Chen, Wei-Hai Fang |
| Persistence lengths and structure factors of wormlike polymers under confinement. | Chemicals, plastics and rubber industries | Peter Cifra, Zuzana Benkova, Tomas Bleha |
| Phase behavior of amphiphilic lipid molecules at air-water interfaces: an off-lattice self-consistent-field modeling. | Chemicals, plastics and rubber industries | Y. Lauw, A. Kovalenko, M. Stepanova |
| Phase behavior of polystyrene-brush-coated nanoparticles in cyclohexane. | Chemicals, plastics and rubber industries | Andreas Kaiser, Annette M. Schmidt |
| Phase diagram for assembly of biologically-active peptide amphiphiles. | Chemicals, plastics and rubber industries | George C. Schatz, Mark A. Ratner, Stefan Tsonchev, Krista L. Niece, Samuel I. Stupp |
| Phase separation dynamics of aqueous solutions of thermoresponsive polymers studied by a laser T-jump technique. | Chemicals, plastics and rubber industries | Yasuyuki Tsuboi, Noboru Kitamura, Yasuhiro Yoshida, Kensaku Okada |
| Phonon-driven exciton dissociation at donor-acceptor polymer heterojunctions: direct versus bridge-mediated vibronic coupling pathways. | Chemicals, plastics and rubber industries | Hiroyuki Tamura, Eric R. Bittner, John G. S. Ramon, Irene Burghardt |
| Photodecarbonylation of [alpha]-diketones: a mechanistic study of reactions leading to acenes. | Chemicals, plastics and rubber industries | Douglas C. Neckers, Rajib Mondal, Albert N. Okhrimenko, Bipin K. Shah |
| Photoinduced intramolecular charge transfer in push-pull polyenes: effects of solvation, electron-donor group, and polyenic chain length. | Chemicals, plastics and rubber industries | Pascal Plaza, Monique M. Martin, Walther Akemann, Damien Laage, Mireille Blanchard-Desce |
| Photolytic control and infrared probing of amide I mode in the dipeptide backbone-caged with the 4,5-dimethoxy-2-nitrobenzyl group. | Chemicals, plastics and rubber industries | Minhaeng Cho, Hanju Rhee, Cheonik Joo, Jang-Soo Lee, Jihae Lee, Hogyu Han |
| Photophysical properties of natural light-harvesting complexes studied by subsystem density functional theory. | Chemicals, plastics and rubber industries | Johannes Neugebauer |
| Photophysical property and photostability of J-aggregate thin films of thiacyanine dyes prepared by the spin-coating method. | Chemicals, plastics and rubber industries | Hiroaki Horiuchi, Hiroshi Hiratsuka, Kunihiko Otaguro, Katsuhiko Tani, Chizuru Ito, Yasuhiro Hanawa, Mamoru Uchida |
| Photophysics and photochemistry of imipramine, desimipramine, and clomipramine in several solvents: a fluorescence, 266 nm laser flash, and theoretical study. | Chemicals, plastics and rubber industries | Rafael Arce, Rolando Oyola, Carmelo Garcia, Luis Pinero, Dionne Hernandez |
| Physical properties of ionic liquids consisting of the 1-butyl-3-methylimidazolium cation with various anions and the bis(trifluoromethylsulfonyl)imide anion with various cations. | Chemicals, plastics and rubber industries | Gary A. Baker, Hui Jin, James F. Wishart, Alan J. Benesi, Bernie O'Hare, Mark Maroncelli, Sergei Arzhantsev, Jing Dong |
| Physicochemical characterization of natural ionic microreservoirs: Bacillus subtilis dormant spores. | Chemicals, plastics and rubber industries | Sergey Kazakov, Irina Gazaryan, Elizabeth Bonvouloir |
| Polarizable and nonpolarizable force fields for alkyl nitrates. | Chemicals, plastics and rubber industries | Thomas D. Sewell, Dmitry Bedrov, Oleg Borodin, Grant D. Smith |
| Polymorphism of even-numbered carbon atom n-alkanes revisited through topological P-T diagrams. | Chemicals, plastics and rubber industries | Philippe Espeau, Rene Ceolin |
| Prediction of partition coefficients by multistate hybrid atomic-level/coarse-grain simulations. | Chemicals, plastics and rubber industries | Jonathan W. Essex, Julien Michel, Mario Orsi |
| Primary radical pair [P.sup.+][H.sup.-] lifetime in Rhodobacter sphaeroides with blocked electron transfer to [Q.sub.A]. Effect of o-phenanthroline. | Chemicals, plastics and rubber industries | Krzysztof Gibasiewicz, Maria Pajzderska |
| Probing the complete folding trajectory of a DNA hairpin using dual beam fluorescence fluctuation spectroscopy. | Chemicals, plastics and rubber industries | Jaemyeong Jung, Alan Van Orden, Ming Yu, Rachelle Ihly, Eric Scott |
| Protein stability prediction: a Poisson-Boltzmann approach. | Chemicals, plastics and rubber industries | Ray Luo, Yu-Hong Tan |
| Protein structure and dynamics in ionic liquids. Insights from molecular dynamics simulations studies. | Chemicals, plastics and rubber industries | Claudio M. Soares, Nuno M. Micaelo |
| Protic ionic liquids: physicochemical properties and behavior as amphiphile self-assembly solvents. | Chemicals, plastics and rubber industries | Irena Krodkiewska, Calum J. Drummond, Tamar L. Greaves, Asoka Weerawardena |
| Protonation of the proximal histidine ligand in heme peroxidases. | Chemicals, plastics and rubber industries | Ulf Ryde, Patrik Rydberg, Jimmy Heimdal |
| Pulsed EPR and DFT characterization of radicals produced by photo-oxidation of zeaxanthin and violaxanthin on silica-alumina. | Chemicals, plastics and rubber industries | David A. Dixon, Michael K. Bowman, Lowell D. Kispert, Peter Molnar, Tatyana A. Konovalova, Jozsef Deli |
| Pulsed field gradient NMR studies of polymer adsorption on colloidal CdSe quantum dots. | Chemicals, plastics and rubber industries | Gregory D. Scholes, Chi Wu, Mitchell A. Winnik, Anna Lee, Ronald Soong, Peter M. Macdonald |
| Quadruplex structure of polyriboinosinic acid: dependence on alkali metal ion concentration, pH and temperature. | Chemicals, plastics and rubber industries | Prasad L. Polavarapu, Ana G. Petrovic |
| Quantifying free energy profiles of proton transfer reactions in solution and proteins by using a diabatic FDFT mapping. | Chemicals, plastics and rubber industries | Arieh Warshel, Yun Xiang |
| Quantifying the ordering of adsorbed proteins in situ. | Chemicals, plastics and rubber industries | Jie Wang, Zhan Chen, Sang-Ho Lee |
| Quantitative molecular depth profiling of organic delta-layers by [C.sub.60] ion sputtering and SIMS. | Chemicals, plastics and rubber industries | Alexander G. Shard, Felicia M. Green, Paul J. Brewer, Martin P. Seah, Ian S. Gilmore |
| Quantum state-resolved C[O.sub.2] collisions at the gas-liquid interface: surface temperature-dependent scattering dynamics. | Chemicals, plastics and rubber industries | David J. Nesbitt, Bradford G. Perkins Jr. |
| Radical dynamics of puerarin as revealed by laser flash photolysis and spin density analysis. | Chemicals, plastics and rubber industries | Yu-Xi Tian, Rui-Min Han, Li-Min Fu, Jian-Ping Zhang, Lief H. Skibsted |
| Reactivity of superoxide anion radical with a perchlorotriphenylmethyl (trityl) radical. | Chemicals, plastics and rubber industries | Govindasamy Ilangovan, Periannan Kuppusamy, Concepcio Rovira, Vijay Kumar Kutala, Frederick A. Villamena, Daniel Maspoch, Nans Roques, Jaume Veciana |
| "Reduced" distributed monopole model for the efficient prediction of energy transfer in condensed phases. | Chemicals, plastics and rubber industries | David Beljonne, Claudio Zannoni, Corrado Bacchiocchi, Emmanuelle Hennebicq, Silvia Orlandi, Luca Muccioli |
| Relative hydrophobicity and hydrophilicity of some "ionic liquid" anions determined by the 1-propanol probing methodology: a differential thermodynamic approach. | Chemicals, plastics and rubber industries | Keiko Nishikawa, Yoshikata Koga, Hitoshi Kato |
| Relaxation dynamics of orientationally disordered plastic crystals: effect of dopants. | Chemicals, plastics and rubber industries | S.S.N. Murthy, L.P. Singh, T. Brauniger, H. Zimmermann |
| Relevance of the electric-dipole-electric-quadrupole contribution to Raman optical activity spectra. | Chemicals, plastics and rubber industries | Carmen Herrmann, Markus Reiher, Sandra Luber |
| Replacing the cholesterol hydroxyl group with the ketone group facilitates sterol flip-flop and promotes membrane fluidity. | Chemicals, plastics and rubber industries | Ilpo Vattulainen, Mikko Karttunen, Tomasz Rog, Lorna M. Stimson, Marta Pasenkiewicz-Gierula |
| Resonance Raman spectroscopy of nitric oxide reductase and [cbb.sub.3] heme-copper oxidase. | Chemicals, plastics and rubber industries | Eftychia Pinakoulaki, Constantinos Varotsis |
| Revisiting the carboxylic acid dimers in aqueous solutions: interplay of hydrogen bonding, hydrophobic interactions, and entropydhydrogen bonds. | Chemicals, plastics and rubber industries | Charles L. Brooks III, Harold A. Scheraga, Jianhan Chen |
| Rheology of aqueous solutions of polyglycidol-based analogues to pluronic block copolymers. | Chemicals, plastics and rubber industries | Stanislav Rangelov, Christo Tsvetanov, Silvia Halacheva |
| Role of counterion condensation in the self-assembly of SDS surfactants at the water-graphite interface.(sodium dodecyl sulfate) | Chemicals, plastics and rubber industries | Alberto Striolo, Naga Rajesh Tummala |
| Role of length-dependent stability of collagen-like peptides. | Chemicals, plastics and rubber industries | V. Subramanian, R. Parthasarathi, T. Ramasami, S. Sundar Raman |
| Roles of deeply supercooled ethanol in crystallization and solvation of LiI. | Chemicals, plastics and rubber industries | Ryutaro Souda |
| Sequence distribution effects on glass transition temperatures of copolymers: an extended Gibbs-DiMarzio equation in view of bond rotation flexibility. | Chemicals, plastics and rubber industries | Wei Wang, Guodong Liu, Zhenying Meng, Yuelian Zhou, Liucheng Zhang |
| Simulating temperature jumps for protein folding. | Chemicals, plastics and rubber industries | Adrian E. Roitberg, Seonah Kim |
| Simulating Van der Waals interactions in water/hydrocarbon-based complex fluids. | Chemicals, plastics and rubber industries | I. Pasichnyk, R. Everaers, A.C. Maggs |
| Single molecule spectroscopy of conjugated polymer chains in an electric field-aligned liquid crystal. | Chemicals, plastics and rubber industries | Paul F. Barbara, Stephan Link, Arun Yethiraj, Wei-Shun Chang |
| Singlet oxygen chemistry in water: a porous Vycor glass-supported photosensitizer. | Chemicals, plastics and rubber industries | Ruomei Gao, Alexander Greer, David Aebisher, Nikolay S. Azar, Matibur Zamadar, Naveen Gandra, Harry D. Gafney |
| Solution structures of cyclosporine A and its complex with dysprosium(III) in SDS micelles: NMR and molecular dynamics studies. | Chemicals, plastics and rubber industries | Elena Gaggelli, Gianni Valensin, Elena Molteni, Francesca Bernardi, Nicola DEAmelio |
| Solvation structure and dynamics of ammonium (N[H.sub.4.sup.+]) in liquid ammonia studied by HF/MM and B3LYP/MM molecular dynamics simulations. | Chemicals, plastics and rubber industries | Supot Hannongbua, Anan Tongraar |
| Solvent and rotational relaxation of coumarin 153 in a protic ionic liquid dimethylethanolammonium formate. | Chemicals, plastics and rubber industries | Nilmoni Sarkar, Debabrata Seth, Souravi Sarkar |
| Solvent effects on internal conversions and intersystem crossings: the radiationless de-excitation of acrolein in water. | Chemicals, plastics and rubber industries | Aurora Munoz Losa, M. Elena Martin, Manuel A. Aguilar, Ignacio Fedz. Galvan, M. Luz Sanchez |
| Solvent polarities and Kamlet-Taft parameters for ionic liquids containing a pyridinium cation. | Chemicals, plastics and rubber industries | John M. Prausnitz, Jong-Min Lee, Sebastian Buckes |
| Sonoluminescence of Na atom from NaCl solutions doped with ethanol. | Chemicals, plastics and rubber industries | Pak-Kon Choi, Shogo Abe, Yuichi Hayashi |
| Specific ion adsorption and surface forces in colloid science. | Chemicals, plastics and rubber industries | R.R. Netz, F.W. Tavares, E.R.A. Lima, D. Horinek, E.C. Biacaia, W. Kunz Bostrom |
| Spectroscopic studies on ligand-enzyme interactions: complexation of [alpha]-chymotrypsin with 4',6-diamidino-2-phenylindole (DAPI). | Chemicals, plastics and rubber industries | Samir Kumar Pal, Debapriya Banerjee, Sachin Kumar Srivastava |
| Stability and reversibility of LiB[H.sub.4]. | Chemicals, plastics and rubber industries | Andreas Zuttel, Philippe Mauron, Oliver Friedrichs, Florian Buchter, Arndt Remhof, Michael Bielmann, Christoph N. Zwicky |
| Strength of [C.sub.[alpha]]-H...O[double bond]C hydrogen bonds in transmembrane proteins. | Chemicals, plastics and rubber industries | Hahnbeom Park, Jungki Yoon, Chaok Seok |
| Structural and spectroscopic study of a novel erbium titanate pink pigment prepared by sol-gel methodology. | Chemicals, plastics and rubber industries | Monica Martos, Beatriz Julian-Lopez, Eloisa Cordoncillo, Purificacion Escribano |
| Structural change of 1-butyl-3-methylimidazolium tetrafluoroborate + water mixtures studied by infrared vibrational spectroscopy. | Chemicals, plastics and rubber industries | Yukio Ouchi, Hiro-o Hamaguchi, Jaeho Sung, Doseok Kim, Yoonnam Jeon, Chungwon Seo, Hyeonsik Cheong, Ryosuke Ozawa |
| Structure and dynamics of an extended conjugated NLO chromophore within an amphiphilic 4-helix bundle peptide by molecular dynamics simulation. | Chemicals, plastics and rubber industries | Hongling Zou, Michael J. Therien, J. Kent Blasie |
| Structure, energetics, and electronic coupling in the [(TCN[E.sub.2]).sup.-].encounter complex in solution: a polarizable continuum study. | Chemicals, plastics and rubber industries | Marshall D. Newton, Qian Wang |
| Structure of aqueous solutions of ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate by small-angle neutron scattering. | Chemicals, plastics and rubber industries | L. Almasy, M. Turmine, A. Perera |
| Structure of liquid crystal droplets with chiral propeller texture. | Chemicals, plastics and rubber industries | Deng-Ke Yang, S.Z.D. Cheng |
| Structure of polydisperse inverse ferrofluids: theory and computer simulation. | Chemicals, plastics and rubber industries | J.P. Huang, Y. Gao, Y.C. Jian, R. Tao |
| Studies of the thermodynamic properties of hydrogen gas in bulk water. | Chemicals, plastics and rubber industries | Marcus G. Martin, Dubravko Sabo, Sameer Varma, Susan B. Rempe |
| Study of molecular aggregation of artificial amyloid in a Langmuir monolayer by infrared spectroscopy. | Chemicals, plastics and rubber industries | Roger M. Leblanc, Takeshi Hasegawa, Jhony Orbulescu, Yoshiko Sato, Changqing Li, Hiroyuki Katuda |
| Substituent effects on the vibronic coupling for the phenyxy/phenol self-exchange reaction . | Chemicals, plastics and rubber industries | Sharon Hammes-Schiffer, Michelle K. Ludlow, Jonathan H. Skone |
| Sum frequency generation studies of ammonium and pyrrolidinium ionic liquids based on the bis-trifluoromethanesulfonimide anion. | Chemicals, plastics and rubber industries | Gary A. Baker, Steven Baldelli, Cesar Aliaga |
| [super 15]N and [super 13]C high-resolution solid-state NMR study of the polymorphism of the L-enantiomer of N-benzoylphenylalanine. | Chemicals, plastics and rubber industries | Marek J. Potrzebowski, Sebastian Olejniczak, Colan E. Hughes, Justyna Mikula-Pacholczyk |
| Surface structure relaxation of poly(methyl methacrylate). | Chemicals, plastics and rubber industries | Qifeng Li, Rui Hua, Ignatius J. Cheah, Keng C. Chou |
| Surfactant self-assembly in the gas phase: bis(2-ethylhexyl)sulfosuccinate-alkaline metal ion aggregates. | Chemicals, plastics and rubber industries | Vincenzo Turco Liveri, Gianluca Giorgi, Leopoldo Ceraulo |
| Symmetric double proton tunneling in formic acid dimer: adiabatic basis approach. | Chemicals, plastics and rubber industries | George L. Barnes, Shane M. Squires, Edwin L. Sibert III |
| Tautomeric equilibrium, stability, and hydrogen bonding in 2'-deoxyguanosine monophosphate complexed with [Mg.sup.2}. | Chemicals, plastics and rubber industries | Jerzy Leszczynski, Oleg V. Shishkin, Leonid Gorb, Jiri Sponer, Dmytro Kosenkov |
| Temperature and length scale dependence of tetraalkylammonium ion-amide interaction. | Chemicals, plastics and rubber industries | Andrey Kustov, Valeriy P. Korolev |
| The chemistry of cyanuric acid ([H.sub.3][C.sub.3][N.sub.3][O.sub.3]) under high pressure and high temperature. | Chemicals, plastics and rubber industries | W. Montgomery, J.C. Crowhurst, R. Jeanloz, J.M. Zaug |
| The effect of intermolecular dipole-dipole interaction on Raman spectra of polyconjugated molecules: density functional theory simulations and mathematical models. | Chemicals, plastics and rubber industries | Alberto Milani, Giuseppe Zerbi, Mirella Del Zoppo, Matteo Tommasini |
| The low-temperature dynamic crossover phenomenon in protein hydration water: simulations vs experiments. | Chemicals, plastics and rubber industries | Francesco Mallamace, Sow-Hsin Chen, Piero Baglioni, Marco Lagi, Xiangqiang Chu, Chansoo Kim |
| Theoretical study of temperature and solvent dependence of the free-energy surface of the intramolecular electron-transfer based on the RISM-SCF theory: application to the 1,3-dinitrobenzene radical anion in acetonitrile and methanol. | Chemicals, plastics and rubber industries | Fumio Hirata, Tateki Ishida, Norio Yoshida |
| Theoretical study of the prohibited mechanism for ethylene/vinyl acetate co-polymers to the wax crystal growth. | Chemicals, plastics and rubber industries | Wei Li, Ming Zhang, Jinli Zhang, Junlie Wan |
| Theory of non-Markovian rate processes. | Chemicals, plastics and rubber industries | Ji-Hyun Kim, Sangyoub Lee |
| Theory of spin-Peierls transitions in chains of exchange clusters. | Chemicals, plastics and rubber industries | Vitaly A. Morozov, Nikita N. Lukzen, Victor I. Ovcharenko |
| The quadruplex-duplex structural transition of polyriboguanylic acid. | Chemicals, plastics and rubber industries | Prasad L. Polavarapu, Ana G. Petrovic |
| Thermodynamic scaling of diffusion in supercooled Lennard-Jones liquids. | Chemicals, plastics and rubber industries | C.M. Roland, D. Coslovich |
| The ultrafast charge-transfer-to-solvent dynamics of iodide in tetrahydrofuran. 1. Exploring the roles of solvent and solute electronic structure in condensed-phase charge-transfer reactions. | Chemicals, plastics and rubber industries | Benjamin J. Schwartz, Arthur E. Bragg |
| Three-dimensional molecular mapping of a multiple emulsion by means of CARS microscopy. | Chemicals, plastics and rubber industries | Tobias Meyer, Michael Schmitt, Jurgen Popp, Denis Akimov, Nicolae Tarcea, Susana Chatzipapadopoulos, Gerald Muschiolik, Jens Kobow |
| Time-dependent binding mode of a cationic porphyrin dimer to poly[d[(G-C).sub.2]] and poly[d[(A-T).sub.2]]. | Chemicals, plastics and rubber industries | Biao Jin, Chang Hwan Bae, Rita Song, Maeng Joon Jung, Kim Seog K |
| Time-resolving analysis of cryotropic gelation of water/poly(vinyl alcohol) solutions via small-angle neutron scattering. | Chemicals, plastics and rubber industries | Finizia Auriemma, Rosa Ricciardi, Claudio De Rosa, Fabrizio Lo Celso, Roberto Triolo, Vitaly Pipich |
| Tracer diffusion in colloidal gels. | Chemicals, plastics and rubber industries | Taco Nicolai, Sujin Babu, Jean Christophe Gimel |
| Transient absorption spectroscopy for determining multiple site occupancy in drug-protein conjugates. A comparison between human and bovine serum albumins using flurbiprofen methyl ester as a probe. | Chemicals, plastics and rubber industries | Miguel A. Miranda, Ignacio Vaya, M. Consuelo Jimenez |
| Transition-state theory rate calculations with a recrossing-free moving. | Chemicals, plastics and rubber industries | Rigoberto Hernandez, Thomas Bartsch, T. Uzer, Jeremy M. Moix |
| Transport coefficients, Raman Spectroscopy, and computer simulation of lithium salt solution in an ionic liquid. | Chemicals, plastics and rubber industries | Mauro C.C. Ribeiro, Leonardo J.A. Siqueira, Roberto M. Torresi, Marcelo J. Monteiro, Fernanda F.C. Bazito |
| Treating entropy and conformational changes in implicit solvent simulations of small molecules. | Chemicals, plastics and rubber industries | Ken A. Dill, David L. Mobley, John D. Chodera |
| Trotter-based simulation of quantum-classical dynamics. | Chemicals, plastics and rubber industries | Giovanni Ciccotti, Raymond Kapral, Donal Mac Kernan |
| Tuning the optical properties of a water-soluble cationic poly(p-phenylenevinylene): surfactant complexation with a conjugated polyelectrolyte. | Chemicals, plastics and rubber industries | Malkiat S. Johal, Hsing-Lin Wang, Jeremy S. Treger, Vincent Y. Ma, Yuan Gao, Chun-Chih Wang |
| Two-dimensional reaction free surfaces of catalytic reaction: effects of protein conformational dynamics on enzyme catalysis. | Chemicals, plastics and rubber industries | Biman Bagchi, X. Sunney Xie, Wei Min |
| Ultrafast energy transfer dynamics of a bioinspired dyad molecule. | Chemicals, plastics and rubber industries | Jennifer L. Herek, Thomas A. Moore, Paul A. Liddell, Devens Gust, Ana L. Moore, Janne Savolainen, Tiago Buckup, Marcus Motzkus, Niels Dijkhuizen, Riccardo Fanciulli, Jurgen Hauer |
| Umbrella sampling of solute vibrational line shifts in mixed quantum-classical molecular dynamics simulations. | Chemicals, plastics and rubber industries | Ward H. Thompson, Christine M. Morales |
| Unified approach to ion transport and structural relaxation in amorphous polymers and glasses. | Chemicals, plastics and rubber industries | Malcolm D. Ingram, Corrie T. Imrie, Jacques Ledru, John M. Hutchinson |
| Use of the [beta]-phase of poly(9,9-dioctylfluorene) as a probe into the interfacial interplay for the mixed bilayer films formed by sequential spin-coating. | Chemicals, plastics and rubber industries | Wei Huang, Yong Cao, Wei Wei, Jian-Ming Lin, Chao Zheng, Yun-Hua Xu, Jun-Biao Peng |
| Using Grote-Hynes theory to quantify dynamical effects on the reaction rate of enzymatic processes. The case of methyltransferases. | Chemicals, plastics and rubber industries | Inaki Tunon, Alejandro Soriano, Raquel Castillo, Maite Roca, Vicente Moliner |
| UV-visible spectroscopic study of solvation in ternary solvent mixtures: ketocyanine dye in methanol acetone water and methanol acetone benzene. | Chemicals, plastics and rubber industries | Sanjib Bagchi, Angshuman Maitra |
| Vapor-liquid equilibria simulation and an equation of state contribution for dipole-quadrupole interactions. | Chemicals, plastics and rubber industries | Jadran Vrabec, Joachim Gross |
| Vibrational energy relaxation of the bend fundamental of dilute water in liquid chloroform and d-chloroform. | Chemicals, plastics and rubber industries | Y. S. Lin, S. G. Ramesh, J. M. Shorb, E. L. Sibert III, J. L. Skinner |
| Vibrational relaxation of normal and deuterated liquid nitromethane. | Chemicals, plastics and rubber industries | Dana D. Dlott, Yoonsoo Pang, Ying Fang, Shinsuke Shigeto |
| Vibrational spectroscopy of perfluorocarboxylic acids from the infrared to the visible regions. | Chemicals, plastics and rubber industries | Veronica Vaida, Nabilah Rontu |
| Waiting cycle times and generalized Haldane equality in the steady-state kinetics of single enzymes. | Chemicals, plastics and rubber industries | Hao Ge |
| Water cavities of sH clathrate hydrate stabilized by molecular hydrogen. | Chemicals, plastics and rubber industries | Carolyn A. Koh, Timothy A. Strobel, E. Dendy Sloan |
| Water cavities of sH clathrate hydrate stabilized by molecular hydrogen: phase equilibrium measurements. | Chemicals, plastics and rubber industries | Cor J. Peters, Ana Rita C. Duarte, Alireza Shariati, Laura J. Rovetto |
| When is a molecule properly solvated by a continuum model or in a cluster ansatz? A first-principles simulations of alanine hydration. | Chemicals, plastics and rubber industries | Barbara Kirchner, Jens Thar, Stefan Zahn |
| X-ray microscopy studies of protein adsorption on a phase segregated polystyrene/polymethylmethacrylate surface. 2: effect of pH on site preference. | Chemicals, plastics and rubber industries | Li Li, Adam P. Hitchcock, Andreas Scholl, Andrew Doran, Rena Cornelius, John L. Brash |
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