Molecular structures of the two most stable conformers of free glycine

Molecular structures of the two most stable conformers of free glycine

The equilibrium molecular structures of the two lowest-energy conformers of glycine, Gly-Ip and Gly-IIn, have been characterized by high-level ab initio electronic structure computations, including all-electron cc-pVTZ CCSD(T) geometry optimizations and 6-31G* MP2 quartic force fields, the latter to...

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Veröffentlicht in:Journal of computational chemistry. - 1984. - 28(2007), 8 vom: 30. Juni, Seite 1373-83
1. Verfasser: Kasalová, Veronika (VerfasserIn)
Weitere Verfasser: Allen, Wesley D, Schaefer, Henry F 3rd, Czinki, Eszter, Császár, Attila G
Format: Aufsatz
Sprache:English
Veröffentlicht: 2007
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article Research Support, Non-U.S. Gov't Research Support, U.S. Gov't, Non-P.H.S. Glycine TE7660XO1C