Ab initio quantum chemical and mixed quantum mechanics/molecular mechanics (QM/MM) methods for studying enzymatic catalysis
Article Abstract:
Large scale ab initio quantum chemical and mixed quantum mechanics/molecular mechanics (QM/MM) methods are described for studying enzymatic reactions. A discussion of the qualitative and quantitative conclusions concerning enzymatic catalysis that are available from modern ab initio approaches is also presented.
Publication Name: Annual Review of Physical Chemistry
Subject: Chemistry
ISSN: 0066-426X
Year: 2005
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Quantum mode-coupling theory: Formulation and applications to normal and supercooled quantum liquids
Article Abstract:
The recent efforts to formulate and study a mode-coupling approach to real-time dynamic fluctuations in quantum liquids were reviewed. Extensions of the theory to supercooled and glassy states where quantum fluctuations compete with thermal fluctuations are discussed.
Publication Name: Annual Review of Physical Chemistry
Subject: Chemistry
ISSN: 0066-426X
Year: 2005
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Quantum chaos meets coherent control
Article Abstract:
Coherent control of atomic and molecular processes in model chaotic systems is examined. The results indicate that coherent control can be applied to those quantum systems that have a chaotic classical limit.
Publication Name: Annual Review of Physical Chemistry
Subject: Chemistry
ISSN: 0066-426X
Year: 2005
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