An ab initio investigation of the electronic structure of ion-pair enolates NH2COCH2TiF3, PH2COCH2TiF3, C6H5COCH2TiF3, C6H5SOCH2TiF3: The influence of the heteroatom. Part II

Journal of Molecular Structure: THEOCHEM

Volumn 459, Issue 1-3, 1999, Pages 47-55

  Rosi, Marzio ^a   Sgamellotti, Antonio ^a   Floriani, Carlo ^b  

^a UNIVERSITY OF PERUGIA   (Italy)

^b UNIVERSITY OF LAUSANNE   (Switzerland)

Author keywords

Ab initio; Electronic structure; Enolates

Indexed keywords

ACETAMIDE DERIVATIVE; CATION; TRIFLUOROTITANIOACETAMIDE; TRIFLUOROTITANIOACETOPHENONE; TRIFLUOROTITANIOACETYLPHOSPHINE; TRIFLUOROTITANIOMETHYLPHENYLSULPHOXIDE; UNCLASSIFIED DRUG;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; GEOMETRY;

EID: 0033535020     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(98)00256-5     Document Type: Article

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