Excited state reactivity index theory application for small moieties

International Journal of Quantum Chemistry

Volumn 111, Issue 14, 2011, Pages 3821-3830

  Chatterjee, Abhijit ^a  

^a Nishishinbashi TS Building 11F   (Japan)

Author keywords

CI; DFT; excited state; reactivity index; small moieties

Indexed keywords

AUSTIN MODEL 1; CHLORINATED METHANE; CI; CONFIGURATION INTERACTIONS; DFT; HEAT OF FORMATION; OPTIMIZED GEOMETRIES; POLARIZABILITIES; REACTIVITY INDEX; REACTIVITY INDICES; RESPONSE FUNCTIONS; SMALL MOIETIES; SPECTRAL DATA;

BENZENE; DENSITY FUNCTIONAL THEORY; ELECTRIC FIELDS; GROUND STATE; METHANE; THERMOCHEMISTRY;

EXCITED STATES;

EID: 80052081483     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22941     Document Type: Article

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