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 account for anharmonic zero-point vibrational effects to… (More)
DOI: 10.1002/jcc.20680


9 Figures and Tables

Slides referencing similar topics