Intramolecular charge transfer effects on the diradical character and second hyperpolarizabilities of open-shell singlet X-π-X (X = donor/acceptor) systems

Journal of Physical Chemistry A

Volumn 118, Issue 19, 2014, Pages 3463-3471

  Fukuda, Kotaro ^a   Nakano, Masayoshi ^a  

^a OSAKA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; MOLECULES; SHELLS (STRUCTURES);

CARBON-CARBON BOND; COUPLED-CLUSTER METHODS; DOUBLE EXCITATIONS; INTRA-MOLECULAR CHARGE TRANSFER; INTRAMOLECULAR CHARGE TRANSFERS; PERTURBATIVE TREATMENT; SECOND HYPERPOLARIZABILITIES; THIRD-ORDER NONLINEAR OPTICAL;

INFORMATION TECHNOLOGY;

FLEROXACIN; FREE RADICAL; NITRILE; TRI-P-QUINODIMETHANE;

ANALOGS AND DERIVATIVES; CHEMICAL STRUCTURE; CHEMISTRY; QUANTUM THEORY;

FLEROXACIN; FREE RADICALS; MOLECULAR STRUCTURE; NITRILES; QUANTUM THEORY;

EID: 84900528290     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp412634q     Document Type: Article

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