Deformation of the benzene ring upon fluorination: Equilibrium structures of all fluorobenzenes

Molecular Physics

Volumn 111, Issue 9-11, 2013, Pages 1539-1562

  Demaison, Jean ^a   Rudolph, Heinz Dieter ^b   Császár, Attila G ^a,c  

^a UNIVERSITÉ DES SCIENCES ET TECHNOLOGIES DE LILLE   (France)

^b UNIVERSITY OF ULM   (Germany)

^c EÖTVÖS LORÁND UNIVERSITY   (Hungary)

Author keywords

ab initio; equilibrium structures; fluorobenzene; ring distortions; semiexperimental structure; spectroscopic constants; structural refinement

Indexed keywords

AB INITIO; EQUILIBRIUM STRUCTURES; FLUOROBENZENE; SPECTROSCOPIC CONSTANTS; STRUCTURAL REFINEMENT;

BENZENE; BOND LENGTH; DEFORMATION; ELECTRONIC STRUCTURE; ESTIMATION; FLUORINE;

EQUILIBRIUM CONSTANTS;

EID: 84882455155     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2013.793843     Document Type: Article

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