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Journal of Physical Chemistry B

Volumn 115, Issue 14, 2011, Pages 3860-3871

An AIMD study of CPD repair mechanism in water: Role of solvent in ring splitting

(3) Hassanali, Ali A a,b Zhong, Dongping a Singer, Sherwin J a

a OHIO STATE UNIVERSITY (United States)

b ETH ZURICH (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

BUTANE; DIMERS; QUANTUM CHEMISTRY; SOLVENTS;

ANIONIC SYSTEMS; BOND SPLITTING; CARBON ATOMS; CHARGE DELOCALIZATION; CYCLOBUTANE PYRIMIDINE DIMERS; DINGER EQUATION; ELECTRON DENSITIES; ELECTRON TRANSFER; ELECTRONIC DENSITY; INITIAL CONDITIONS; NON EQUILIBRIUM TRAJECTORIES; NON-EQUILIBRIUM EFFECTS; QUANTUM CHEMICAL; REPAIR MECHANISM; SOLVENT COORDINATES; UMBRELLA SAMPLING; WATER DENSITY;

DENSITY FUNCTIONAL THEORY;

EID: 79953776807 PISSN: 15206106 EISSN: 15205207 Source Type: Journal
DOI: 10.1021/jp107723w Document Type: Article

Times cited : (31)

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