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Short Report


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.

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Computational Chemistry Unit Cell, Chemistry Department Faculty of Science, Chulalongkorn University Bangkok 10330, Thailand.

Received December 28, 1989