Semiempirical calculation of electronic spectra of organic compounds by using the improved method of new-γ electron repulsion integral. Part 2. Polycyclic aromatic hydrocarbons (PAHs)

Journal of Molecular Structure: THEOCHEM

Volumn 640, Issue 1-3, 2003, Pages 25-37

  Nakayama, Naofumi ^a   Nagashima, Umpei ^b  

^a Best Systems Inc   (Japan)

^b NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

Author keywords

Chemical softness; New electron repulsion; Polycyclic aromatic hydrocarbons

Indexed keywords

ORGANIC COMPOUND; POLYCYCLIC AROMATIC HYDROCARBON DERIVATIVE;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; ELECTRON; MOLECULAR INTERACTION;

EID: 0842284538     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(03)00372-5     Document Type: Article

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