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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
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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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2008
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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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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