Beyond born-oppenheimer: molecular dynamics through a conical intersection
Article Abstract:
A theoretical description of the features of nonadiabatic processes is outlined. The different types of known intersections are classified using a simple model.
Publisher: Annual Reviews, Inc.
Publication Name: Annual Review of Physical Chemistry
Subject: Chemistry
ISSN: 0066-426X
Year: 2004
Photochemistry
Publication Name: Annual Review of Physical Chemistry
Subject: Chemistry
ISSN: 0066-426X
Year: 2004
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Isomerization through conical intersections
Article Abstract:
The photoinduced cis-trans isomerization about carbon double bond is studied. The role of conical intersections and charge transfer is analyzed.
Publisher: Annual Reviews, Inc.
Publication Name: Annual Review of Physical Chemistry
Subject: Chemistry
ISSN: 0066-426X
Year: 2007
Electric properties, Isomerization, Charge transfer, Carbon compounds
Publication Name: Annual Review of Physical Chemistry
Subject: Chemistry
ISSN: 0066-426X
Year: 2007
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Protein-folding dynamics: Overview of molecular simulation techniques
Article Abstract:
The applications of algorithms for molecular dynamics to study of extensively folded structures of protein molecules are discussed.
Publisher: Annual Reviews, Inc.
Publication Name: Annual Review of Physical Chemistry
Subject: Chemistry
ISSN: 0066-426X
Year: 2007
Protein folding, Structure
Publication Name: Annual Review of Physical Chemistry
Subject: Chemistry
ISSN: 0066-426X
Year: 2007
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Subjects list: Analysis, Molecular dynamics
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