Origin of the enhancement of the second hyperpolarizabilities in open-shell singlet transition-metal systems with metal-metal multiple bonds

Journal of Physical Chemistry Letters

Volumn 2, Issue 16, 2011, Pages 2063-2066

  Fukui, Hitoshi ^a   Nakano, Masayoshi ^a   Shigeta, Yasuteru ^a   Champagne, Benoît ^b  

^a OSAKA UNIVERSITY   (Japan)

^b UNIVERSITY OF NAMUR   (Belgium)

Author keywords

General Theory; Molecular Structure; Quantum Chemistry

Indexed keywords

CONJUGATED SYSTEMS; COUPLED-CLUSTER METHODS; DIRADICALS; EQUILIBRIUM BOND LENGTH; GENERAL THEORY; MODEL SYSTEM; MULTIPLE BONDS; OPEN-SHELL; ORBITALS; SECOND HYPERPOLARIZABILITIES;

BOND LENGTH; QUANTUM CHEMISTRY; TRANSITION METALS;

ELECTRONS;

EID: 80051927831     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz2007897     Document Type: Article

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