Difluorobenzenes revisited: An experimental and theoretical study of spin-spin coupling constants for 1,2-, 1,3-, and 1,4-difluorobenzene

Magnetic Resonance in Chemistry

Volumn 48, Issue 1, 2010, Pages 68-73

  Alkorta, Ibon ^a   Blanco, Fernando ^a   Del Bene, Janet E ^b   Elguero, José ^a   Hernández Folgado, Laura ^a   Jimeno, María Luisa ^c  

^a INSTITUTO DE QUÍMICA MÉDICA   (Spain)

^b YOUNGSTOWN STATE UNIVERSITY   (United States)

^c CSIC Centro de Quimica Organica Lora Tamayo CENQUIOR   (Spain)

Author keywords

Difluorobenzenes; EOM CCSD; SOPPA; SSCCs

Indexed keywords

EQUATIONS OF MOTION;

COUPLED-CLUSTER SINGLES; COUPLING CONSTANTS; DIFLUOROBENZENE; EQUATION OF MOTION COUPLED CLUSTERS; EQUATION-OF-MOTION COUPLED CLUSTER SINGLE ANDDOUBLE METHOD; EXPERIMENTAL VALUES; SECOND ORDERS; SECOND-ORDER POLARIZATION PROPAGATOR APPROXIMATION; SPIN-SPIN COUPLING CONSTANTS; THEORETICAL STUDY;

NUMERICAL METHODS;

EID: 73949089235     PISSN: 07491581     EISSN: 1097458X     Source Type: Journal    
DOI: 10.1002/mrc.2543     Document Type: Article

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