Structure, magnetizability, and nuclear magnetic shielding tensors of bis-heteropentalenes. IV. Dihydrophospholophosphole isomers

Journal of Computational Chemistry

Volumn 27, Issue 3, 2006, Pages 344-351

  Cuesta, Inmaculada García ^a   De Merás, Alfredo M J Sánchez ^a   Lazzeretti, Paolo ^b  

^a UNIVERSITY OF VALENCIA   (Spain)

^b UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

Author keywords

DFT geometry; Diatropicity; GIAO magnetic properties; Heteropentalenes

Indexed keywords

CARBON; CHEMICAL BONDS; MAGNETIC PROPERTIES; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION;

DFT GEOMETRY; DIATROPICITY; GIAO MAGNETIC PROPERTIES; HETEROPENTALENES;

ISOMERS;

EID: 32344452098     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20349     Document Type: Article

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