The accurate computation of partition functions in non-rigid molecules

Computers and Chemistry

Volumn 21, Issue 3, 1997, Pages 143-151

  Niño, Alfonso ^a   Muñoz Caro, Camelia ^a  

^a UNIVERSITY OF CASTILLA LA MANCHA   (Spain)

Author keywords

Ab initio calculations; Equilibrium properties; HF dimer; Non rigid molecules; Partition function

Indexed keywords

EID: 0001473593     PISSN: 00978485     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0097-8485(96)00032-0     Document Type: Article

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