Adiabatic potential analysis for some carbon-containing molecules

International Journal of Quantum Chemistry

Volumn 96, Issue 3, 2004, Pages 255-262

  Abarenkov, I V ^a   Smelkov, K V ^a  

^a ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

Author keywords

Adiabatic potential analysis; Carbon containing molecule; Chemical bond; Electron density; Energy decomposition; Energy driven localization; Ion radicals

Indexed keywords

CALCULATIONS; CARBON; CHEMICAL BONDS; ELECTRONIC DENSITY OF STATES; ELECTRONIC STRUCTURE; FREE RADICALS; MOLECULAR DYNAMICS; NUMERICAL METHODS;

ADIABATIC POTENTIAL ANALYSIS; ENERGY DECOMPOSITION; ENERGY-DRIVEN LOCALIZATION; ION RADICALS; MOLECULAR ORBITAL;

QUANTUM THEORY;

EID: 0345763268     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10546     Document Type: Article

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7. Abarenkov, I. V.; Antonova, I. M. see this Special Issue.