Comparison of density functional and MP2 geometry optimizations of Na(H2O)n (n = 1-3) clusters

Journal of Molecular Structure: THEOCHEM

Volumn 425, Issue 1-2, 1998, Pages 87-94

  Bacelo, Daniel ^a   Ishikawa, Yasuyuki ^a  

^a UNIVERSITY OF PUERTO RICO   (Puerto Rico)

Author keywords

Ab initio correlated calculation; Density functional theory; Potential energy surface; Sodium water clusters

Indexed keywords

EID: 0001967823     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(97)00132-2     Document Type: Article

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