A density functional study of the glycine molecule: Comparison with post-Hartree - Fock calculations and experiment

Journal of Computational Chemistry

Volumn 18, Issue 13, 1997, Pages 1609-1631

  Nguyen, D T ^a   Scheiner, A C ^a   Andzelm, J W ^a   Sirois, S ^b,c   Salahub, D R ^b   Hagler, A T ^a,d  

^a ACCELRYS INC   (United States)

^b UNIVERSITÉ DE MONTRÉAL   (Canada)

^c Ctr Res Computation Its Applic   (Canada)

^d Science Media   (United States)

Author keywords

Adiabatic connection method; Biomolecular modeling; Conformational equilibrium; Density functional theory; Glycine; Microwave structure

Indexed keywords

EID: 0000613556     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V     Document Type: Review

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