ABINITIO COMPUTATION OF FORCE-FIELD AND VIBRATIONAL FREQUENCIES OF H2O ... IF HYDROGEN-BONDED COMPLEX

被引：28

作者：

LISTER, DG

PALMIERI, P

机构：

[1] CNR,SPETTROSCOPIA MOLECOL LAB,I-40126 BOLOGNA,ITALY

[2] UNIV BOLOGNA,IST CHIM FIS 2 & SPETTROSCOPIA,I-40136 BOLOGNA,ITALY

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1977年 / 39卷 / 02期

关键词：

D O I：

10.1016/0022-2860(77)85099-0

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：295 / 300

页数：6

共 21 条

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[9] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .12. FURTHER EXTENSIONS OF GAUSSIAN-TYPE BASIS SETS FOR USE IN MOLECULAR-ORBITAL STUDIES OF ORGANIC-MOLECULES [J].

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[10] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .3. ENERGY SURFACE OF A WATER MOLECULE IN FIELD OF A FLUORINE OR CHLORINE ANION [J].

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