INTERNAL-ROTATION POTENTIAL-ENERGY FOR THE GLYCINE MOLECULE IN ITS ZWITTERIONIC AND NEUTRAL FORMS - COMPARISON AMONG SEVERAL METHODS

被引：57

作者：

PALLA, P ^{[1
]}

PETRONGOLO, C ^{[1
]}

TOMASI, J ^{[1
]}

机构：

[1] CNR,CHIM QUANTISTICA & ENERGETICA MOLEC LAB,I-56100 PISA,ITALY

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1980年 / 84卷 / 04期

关键词：

D O I：

10.1021/j100441a019

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：435 / 442

页数：8

共 19 条

[1]

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[8]

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[9] LOCALIZED BOND ORBITALS AND CORRELATION PROBLEM .2. APPLICATION TO PI-ELECTRON SYSTEMS [J].

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[10] STRUCTURE-ACTIVITY-RELATIONSHIPS OF PHENETHYLAMINE - COMPARISON OF QUANTUM-MECHANICAL SCF AB-INITIO AND SEMIEMPIRICAL CALCULATIONS [J].

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