A comparative study of one- and two-photon absorption properties of pyrene and perylene diimide derivatives

Journal of Molecular Modeling

Volumn 17, Issue 6, 2011, Pages 1413-1425

  Liu, Xiao Ting ^a   Zhao, Yang ^a   Ren, Ai Min ^a   Feng, Ji Kang ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

Density functional theory; Electronic structure; Optical properties; Perylene diimide derivatives; Pyrene; Two photon absorption

Indexed keywords

PERYLENE DIIMIDE DERIVATIVE; POLYCYCLIC AROMATIC HYDROCARBON; PYRENE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; COMPARATIVE STUDY; DENSITY FUNCTIONAL THEORY; ELECTRONICS; HIGHEST OCCUPIED MOLECULAR ORBITAL; LOWEST UNOCCUPIED MOLECULAR ORBITAL; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; ONE PHOTON ABSORPTION; PHOTOCHEMICAL EFFICIENCY; PHOTON ABSORPTIOMETRY; PRIORITY JOURNAL; TWO PHOTON ABSORPTION; ZERNER INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP;

EID: 84962406579     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-010-0839-9     Document Type: Article

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