Theoretical study of the vertical excited states of benzene, pyrimidine, and pyrazine by the symmetry adapted cluster-configuration interaction method

Journal of Computational Chemistry

Volumn 28, Issue 10, 2007, Pages 1658-1667

  Li, Yongjian ^a   Wan, Jian ^a   Xu, Xin ^b  

^a CENTRAL CHINA NORMAL UNIVERSITY   (China)

^b XIAMEN UNIVERSITY   (China)

Author keywords

Benzene; Excited states; Pyrazine; Pyrimidine; SAC CI

Indexed keywords

BENZENE; ELECTRON ENERGY LOSS SPECTROSCOPY; GROUND STATE; MATHEMATICAL MODELS; MOLECULAR INTERACTIONS;

ELECTRONIC EXCITATION SPECTRA; LOW ENERGY ELECTRON IMPACT (LEEI); PYRAZINE; PYRIMIDINE;

EXCITED STATES;

BENZENE; PYRAZINE DERIVATIVE; PYRIMIDINE; PYRIMIDINE DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; SPECTROSCOPY;

BENZENE; COMPUTER SIMULATION; MODELS, CHEMICAL; PYRAZINES; PYRIMIDINES; SPECTRUM ANALYSIS;

EID: 34547290381     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20555     Document Type: Article

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