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Volumn 117, Issue 1, 2002, Pages 248-257
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Monte Carlo microsolvation simulations for excited states using a mixed-Hamiltonian model with polarizable and vibrating waters: Applications to the blueshift of the H2CO 1(π*←n) excitation
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Author keywords
[No Author keywords available]
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Indexed keywords
COMPUTER SIMULATION;
CONTINUUM MECHANICS;
CORRELATION METHODS;
DENSITY OF LIQUIDS;
ELECTRON ENERGY LEVELS;
ELECTRON TRANSITIONS;
ELECTRONIC STRUCTURE;
FORMALDEHYDE;
HAMILTONIANS;
HYDROGEN BONDS;
MOLECULAR DYNAMICS;
MONTE CARLO METHODS;
ORGANIC SOLVENTS;
POLARIZATION;
SPECTRUM ANALYSIS;
STATISTICAL METHODS;
QUANTUM CHEMISTRY;
SOLVENT EFFECTS;
QUANTUM THEORY;
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EID: 0036639497
PISSN: 00219606
EISSN: None
Source Type: Journal
DOI: 10.1063/1.1482700 Document Type: Article |
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Times cited : (36)
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References (32)
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