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Volumn 115, Issue 6, 2001, Pages 2393-2400
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The combined multiconfigurational self-consistent-field/molecular mechanics wave function approach
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Author keywords
[No Author keywords available]
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Indexed keywords
CALCULATIONS;
ELECTRON ENERGY LEVELS;
ELECTRONIC STRUCTURE;
GROUND STATE;
HAMILTONIANS;
IONIZATION;
POLARIZATION;
QUANTUM THEORY;
SOLUTIONS;
SOLVENTS;
WATER;
WAVE EQUATIONS;
EXCITED STATE;
IONIZED STATE;
MULTICONFIGURATIONAL SELF CONSISTENT FIELD MOLECULAR MECHANICS;
POLARIZATION EFFECTS;
MOLECULAR DYNAMICS;
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EID: 0035828026
PISSN: 00219606
EISSN: None
Source Type: Journal
DOI: 10.1063/1.1374559 Document Type: Article |
Times cited : (71)
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References (60)
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