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Volumn 117, Issue 3, 2002, Pages 1256-1268

A polarizable mixed Hamiltonian model of electronic structure for solvated excited states. II. Application to the blue shift of the H2CO1(π*←n) excitation in water

(3) Dupuis, M a,b Kawashima, Y b Hirao, K b

a PACIFIC NORTHWEST NATIONAL LABORATORY (United States)

b UNIVERSITY OF TOKYO (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ENERGY ABSORPTION; FORMALDEHYDE; GROUND STATE; HAMILTONIANS; HYDROGEN BONDS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; POLARIZATION; QUANTUM THEORY;

MOLECULAR MECHANICS (MM);

ELECTRONIC STRUCTURE;

EID: 0037100892 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1483859 Document Type: Article

Times cited : (28)

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