HARMONIC FORCE CONSTANTS OF FORMIC-ACID - AB-INITIO RESULTS AND UNIQUENESS PROBLEM OF FORCE-FIELDS DERIVED FROM VIBRATIONAL DATA

被引：31

作者：

HA, TK

MEYER, R

GUNTHARD, HH

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1978年 / 59卷 / 01期

关键词：

D O I：

10.1016/0009-2614(78)85604-8

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：17 / 20

页数：4

共 9 条

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[5] AB-INITIO SCF CALCULATION OF FORCE CONSTANTS AND DIPOLE-MOMENT DERIVATIVES IN METHANOL [J].

HA, TK ;

MEYER, R ;

GUNTHARD, HH .

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[6]

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[7] MICROWAVE SPECTRUM OF O-18 FORMIC ACID AND STRUCTURE OF FORMIC ACID [J].

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JOURNAL OF CHEMICAL PHYSICS, 1960, 32 (05) :1592-1594

[8] VIBRATIONAL-SPECTRA AND NORMAL COORDINATE ANALYSIS OF ISOTOPICALLY LABELED FORMIC-ACID MONOMERS [J].

REDINGTON, RL .

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[9]

SCHLEGEL HB, 1977, J CHEM PHYS, V67, P4181, DOI 10.1063/1.435397

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