THE ROTATIONAL BARRIER OF THE HYDRATED GLYCINE ZWITTERION

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KOKPOL, S
DOUNGDEE, P
HANNONGBUA, S
CHUANKRERKKUL, N
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O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
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07 ; 0710 ; 09 ;
摘要
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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页码:175 / 179
页数:5
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