SER spectrum: a novel information imaging to characterize molecular dynamics of NO2 on Na-Mordenite
Article Abstract:
Research was conducted to examine complicated molecular motions of gaseous molecules in powder solids using a novel three-dimensional information imaging, spin exchange rate spectra. The proposed imaging model was successfully applied to characterize molecular dynamics of NO2 on Na-mordenite. Results indicate that the information spectrum is very valuable for practical applications in the study of the dynamical processes in porous materials depending on chemical modifications .
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1998
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Molecular dynamics of C60 in cocrystals of C60 and p-bromocalix[4]arene propyl ether
Article Abstract:
The nature of the orientational dynamics of C60 molecules in C60/p-bromocalix[4]arene propyl ether cocrystal has been investigated. The C60 molecules experience fast isotropic reorientation similar to the motion seen in fcc crystals of pure C60.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2000
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Application of a molecular dynamics simulation method with a generalized effective potential to the flexible molecular docking problems
Article Abstract:
Issues concerning a new molecular dynamics method in which the Tsallis effective potential for streptavidin/biotin and protein kinase C/phorbol-13-acetate flexible docking problems are presented.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2000
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