ScienceAsia 18 (1992): 175-179 |doi: 10.2306/scienceasia1513-1874.1992.18.175
THE ROTATIONAL BARRIER OF THE HYDRATED GLYCINE ZWITTERION
SIRIRAT KOKPOL, PRAYONG DOUNGDEE, SUPOT HANNONGBUA, AND NAIYANA CHUANKRERKKUL
ABSTRACT: The influence of the first hydration to the internal rotation of glycine zwitterion is studied by means of ab initio MO-SCF calculations with minimal basis set. The energy optimized pathway of the hydrated structure is compared with CNDO/2 results.
Computational Chemistry Unit Cell, Chemistry Department Faculty of Science, Chulalongkorn University
Bangkok 10330, Thailand.
Received December 28, 1989