Theoretical studies on the anisotropy of the first hyperpolarizabilities of one-and two-dimensional charge-transfer molecules: Role of solvent polarity

Molecular Physics

Volumn 107, Issue 15, 2009, Pages 1597-1603

  Li, Hai Peng ^a   Han, Kui ^a   Tang, Gang ^a   Li, Ming Xue ^a   Shen, Xiao Peng ^a   Huang, Zhi Min ^a  

^a CHINA UNIVERSITY OF MINING AND TECHNOLOGY   (China)

Author keywords

Ab initio; Computational chemistry; Electronic structure; Quantum chemistry

Indexed keywords

ANISOTROPY; CHARGE TRANSFER; CONTINUUM MECHANICS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ION EXCHANGE; NONLINEAR OPTICS; OPTICAL PROPERTIES; QUANTUM THEORY; TWO DIMENSIONAL;

AB INITIO; ANISOTROPY PARAMETERS; CHARGE TRANSFER MOLECULES; COMPUTATIONAL CHEMISTRY; FIRST HYPERPOLARIZABILITIES; NON-LINEAR OPTICAL PROPERTIES; NON-LINEARITY; OFF-DIAGONAL COMPONENTS; PARA-NITROANILINE (PNA); POLARIZABLE CONTINUUM MODEL; SOLVENT EFFECTS; SOLVENT POLARITY; THEORETICAL STUDY;

SOLVENTS;

EID: 84962433250     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970902988428     Document Type: Article

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