A computational investigation and the conformational analysis of dimers, anions, cations, and zwitterions of L-phenylalanine

Abstract

The structure and stability of various conformations of L-phenylalanine (PheN) and its zwitterions (PheZ), along with their ionized counterparts, cation (PheC) and anion (PheA), generated by adding and removing a proton respectively, have been investigated using first principle calculations in vacuum and in solution. This is followed by an extensive study… (More)
DOI: 10.1002/jcc.21942

Topics

17 Figures and Tables