Mixed quantum/classical molecular dynamics simulations of the hydrated dielectron: The role of exchange in condensed-phase structure, dynamics, and spectroscopy

Journal of Physical Chemistry B

Volumn 108, Issue 31, 2004, Pages 11760-11773

  Larsen, Ross E ^a   Schwartz, Benjamin J ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ENERGY SURFACE; MECHANICAL EXCHANGE; POLAR SOLVENT; TRIPLET CHARGE DISTRIBUTION;

COMPUTER SIMULATION; DEGREES OF FREEDOM (MECHANICS); ELECTRONIC PROPERTIES; GROUND STATE; LIGHT ABSORPTION; MATHEMATICAL MODELS; RAMAN SCATTERING;

MOLECULAR DYNAMICS;

EID: 4143060146     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp048951c     Document Type: Article

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