Difficulties of density functional theory in predicting the torsional potential of 2,2′-bithiophene

International Journal of Quantum Chemistry

Volumn 70, Issue 2, 1998, Pages 303-312

  Viruela, Pedro M ^a   Viruela, Rafael ^a   Orti, Enrique ^a  

^a UNIVERSITY OF VALENCIA   (Spain)

Author keywords

Bithiophene; DFT calculations; Fourier fitted torsional potentials; Internal rotation; MP2 calculations

Indexed keywords

EID: 0000722090     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1998)70:2<303::AID-QUA6>3.0.CO;2-Y     Document Type: Article

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