Ab initio study of nonadditivity effects: Spin-spin coupling constants for tetrafluoroethene in ternary π complexes

Journal of Physical Chemistry A

Volumn 114, Issue 10, 2010, Pages 3713-3717

  Del Bene, Janet E ^a   Alkorta, Ibon ^b   Elguero, José ^b  

^a YOUNGSTOWN STATE UNIVERSITY   (United States)

^b INSTITUTO DE QUÍMICA MÉDICA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO STUDY; BINARY COMPLEXES; COUPLING CONSTANTS; ELECTRON ACCEPTOR; ELECTRON DONORS; NONADDITIVITY; RELATIVE CONTRIBUTION; SPIN-SPIN COUPLING CONSTANTS; TERNARY COMPLEX;

ELECTRONS; SPIN DYNAMICS;

CHLORINE COMPOUNDS;

FLUOROCARBON; TETRAFLUOROETHYLENE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; QUANTUM THEORY; THERMODYNAMICS;

FLUOROCARBONS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTUM THEORY; THERMODYNAMICS;

EID: 77949452500     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp1003159     Document Type: Article

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