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Chemicals, plastics and rubber industries

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Abstracts » Chemicals, plastics and rubber industries

Low-lying excited states of light-harvesting system II in purple bacteria

Article Abstract:

The linear-scaling localized-density-matrix (LDM) method is implemented at the INDO/S level to probe the electronic structures of monomers, dimers, trimers, pentamers, and entire rings of BChls. The nearest neighboring BChls-a exciton coupling constants on a B850 ring are found to be close to those evaluated directly from dimers, and thus, an existing discrepancy between calculated results of dimers and B850 rings is resolved.

Author: Man-Fai Ng, Yang Zhao, Guan-Hua Chen
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
Analysis, Causes of, Risk factors, Bacteria, Excited state chemistry, Dimer acids

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Aggregation of ionic liquids [[C.sub.n]mim]Br (n=4, 6, 8, 10, and 12) in [D.sub.2]O: a NMR study

Article Abstract:

The aggregation and hydration behavior of [[C.sub.n]mim]Br are investigated by the NMR studies of its ionic liquid. The results show that the critical aggregation concentration of the ionic liquids decreases with increase in the length of the alkyl chain of the cation and that it has a linear relationship with the number of carbon atoms in the alkyl chain.

Author: Yang Zhao, Jianji Wang, Shanjiao Gao, Junming Tang
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2008
Carbon, Nuclear magnetic resonance, Ionic solutions, Chemical properties

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Why does disubstituted hexamolybdate with arylimido prefer to form an orthogonal derivative? Analysis of stability bonding character, and electronic properties on molybdate derivatives by density functional theory (DFT) study

Article Abstract:

Density functional theory was used to investigate the bonding character of arylimido molybdate derivatives. The investigation provides insight into polyanion-organoimido interactions.

Author: Guan-Hua Chen, Li-Kai Yan, Zhong-Min Su, Wei Guan, Min Zhang, Lin Xu, En-Bo Wang
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
Primary nonferrous metals, not elsewhere classified, Primary Smelting and Refining of Nonferrous Metal (except Copper and Aluminum), Molybdenum, Density functionals, Density functional theory, Atomic properties

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