The Calculation of ab Initio Molecular Geometries: Efficient Optimization by Natural Internal Coordinates and Empirical Correction by Offset Forces

Journal of the American Chemical Society

Volumn 114, Issue 21, 1992, Pages 8191-8201

  Fogarasi, Geza ^a   Zhou, Xuefeng ^a   Taylor, Patterson W ^a   Pulay, Peter ^a  

^a UNIVERSITY OF ARKANSAS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000339640     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja00047a032     Document Type: Article

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