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Volumn 114, Issue 19, 2001, Pages 8251-8256

The influence of the molecular charge on potential energy curves for the proton transfer in electronic ground and excited states

(3) Kowal, Marek a,b Roszak, Szczepan a,b Leszczynski, Jerzy a

a JACKSON STATE UNIVERSITY (United States)

b WROCLAW UNIVERSITY OF TECHNOLOGY (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

CURVE FITTING; ELECTRON ENERGY LEVELS; ELECTRON TRANSPORT PROPERTIES; ELECTRONIC DENSITY OF STATES; HYDROGEN BONDS; MOLECULAR STRUCTURE; NUMERICAL METHODS; POTENTIAL ENERGY; PROTONS;

COMPLETE ACTIVE SPACE SELF CONSISTENT FIELD CALCULATIONS; ELECTRONIC DENSITY DISTRIBUTION; ELECTRONIC EXCITATION; EXCITED STATES; MOLECULAR CHARGE; POTENTIAL ENERGY CURVES; PROTON TRANSFER;

HYDROGEN INORGANIC COMPOUNDS;

EID: 0035872830 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1364682 Document Type: Article

Times cited : (17)

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