Torsional potential of 1,3-butadiene: Ab initio calculations

Molecular Physics

Volumn 99, Issue 1, 2001, Pages 47-51

  Sancho GarcIa J C ^a   PERez JimEnez A J ^a   PERez JordA J M ^a   MoscardO F ^a  

^a UNIVERSITY OF ALICANTE   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHEMICAL BONDS; CONFORMATIONS; VAN DER WAALS FORCES;

BASIS SET EFFECT; CONFORMERS; COUPLED-CLUSTER METHODS; DENSITY FUNCTIONAL THEORY; DIENES; ENERGY BARRIER; QUANTUM CHEMISTRY; TORSIONAL BARRIERS; TORSIONAL POTENTIAL; VAN DER WAALS REPULSION;

BUTADIENE;

EID: 0035835268     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/00268970109483487     Document Type: Article

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