Computation of Internal Coordinates, Derivatives, and Gradient Expressions: Torsion and Improper Torsion

Journal of Computational Chemistry

Volumn 21, Issue 7, 2000, Pages 553-561

  Tuzun, Robert E ^a   Noid, Donald W ^b   Sumpter, Bobby G ^b  

^a STATE UNIVERSITY OF NEW YORK   (United States)

^b OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

Gradient; Internal coordinate quantum Monte Carlo; Molecular dynamics; Molecular mechanics

Indexed keywords

EID: 0043230292     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(200005)21:7<553::AID-JCC4>3.0.CO;2-1     Document Type: Article

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