HARTREE-FOCK CALCULATION OF HARMONIC FORCE CONSTANTS AND EQUILIBRIUM GEOMETRY OF FORMALDEHYDE

被引：108

作者：

MEYER, W ^{[1
]}

PULAY, P ^{[1
]}

机构：

[1] UNIV STUTTGART,INST THEORET CHEM,STUTTGART,WEST GERMANY

来源：

THEORETICA CHIMICA ACTA | 1974年 / 32卷 / 03期

关键词：

D O I：

10.1007/BF00527480

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

收藏

页码：253 / 264

页数：12

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共 41 条

[1] [Anonymous], [No title captured]
[2] FREQUENCY SHIFTS BY C-13 AND O-18 SUBSTITUTION IN FORMALDEHYDE AND PHOSGEN - IMPROVED FORCE CONSTANT CALCULATION
BECHER, HJ
ADRIAN, A
[J]. JOURNAL OF MOLECULAR STRUCTURE, 1971, 7 (3-4) : 323 - &
[3] KRAFTKONSTANTEN VON FORMALDEHYD
BECKMANN, L
GUTJAHR, L
MECKE, R
[J]. SPECTROCHIMICA ACTA, 1965, 21 (02): : 307 - &
[4] THE INFRARED ABSORPTION SPECTRUM OF FORMALDEHYDE VAPOR
BLAU, HH
NIELSEN, HH
[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1957, 1 (02) : 124 - 132
[5] COMBINED SCF AND CI METHOD FOR CALCULATION OF ELECTRONICALLY EXCITED STATES MOLECULES - POTENTIAL CURVES FOR LOW-LYING STATES OF FORMALDEHYDE
BUENKER, RJ
PEYERIMHOFF, SD
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (04) : 1368 - +
[6] ACCURATE FORCE CONSTANTS FROM HEAVY ISOTOPIC SUBSTITUTION .I. 12CF4 AND 13CF4
CHALMERS, AA
MCKEAN, DC
[J]. SPECTROCHIMICA ACTA, 1966, 22 (02): : 251 - &
[7] CHALMERS AA, 1966, SPECTROCHIM ACTA, V22, P269
[8] VIBRATIONAL ANALYSIS OF ACETONE ACETALDEHYDE AND FORMALDEHYDE
COSSEE, P
SCHACHTS.JH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (01) : 97 - &
[9] NON-EMPIRICAL LCAO-MO-SCF-CI CALCULATIONS ON ORGANIC MOLECULES WITH GAUSSIAN TYPE FUNCTIONS .I. INTRODUCTORY REVIEW AND MATHEMATICAL FORMALISM
CSIZMADI.IG
HARRISON, MC
MOSKOWIT.JW
SUTCLIFF.BT
[J]. THEORETICA CHIMICA ACTA, 1966, 6 (03): : 191 - &
[10] ANHARMONICITY CORRECTION FOR POLYATOMIC MOLECULES .I. METHODS + APPLICATION TO CH2O
CURTIS, EC
[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1964, 14 (03) : 279 - &

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