APPLICATION OF SELF-CONSISTENT-FIELD ABINITIO CALCULATIONS TO ORGANIC-MOLECULES .4. FORCE CONSTANTS OF PROPENE SCALED ON EXPERIMENTAL FREQUENCIES

被引：58

作者：

BLOM, CE ^{[1
]}

ALTONA, C ^{[1
]}

机构：

[1] STATE UNIV LEIDEN,GORLAEUS LABS,DEPT ORGAN CHEM,LEIDEN,NETHERLANDS

来源：

MOLECULAR PHYSICS | 1977年 / 33卷 / 03期

关键词：

D O I：

10.1080/00268977700100791

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：875 / 885

页数：11

共 16 条

[1] APPLICATION OF SELF-CONSISTENT-FIELD ABINITIO CALCULATIONS TO ORGANIC-MOLECULES .3. EQUILIBRIUM STRUCTURE OF WATER, METHANOL AND DIMETHYL ETHER, GENERAL VALENCE FORCE-FIELD OF WATER AND METHANOL SCALED ON EXPERIMENTAL FREQUENCIES
BLOM, CE
OTTO, LP
ALTONA, C
[J]. MOLECULAR PHYSICS, 1976, 32 (04) : 1137 - 1149
[2] APPLICATION OF SELF-CONSISTENT-FIELD AB-INITIO CALCULATIONS TO ORGANIC-MOLECULES .2. SCALE FACTOR METHOD FOR CALCULATION OF VIBRATIONAL FREQUENCIES FROM AB-INITIO FORCE CONSTANTS - ETHANE, PROPANE AND CYCLOPROPANE
BLOM, CE
ALTONA, C
[J]. MOLECULAR PHYSICS, 1976, 31 (05) : 1377 - 1391
[3] APPLICATION OF SELF-CONSISTENT-FIELD AB-INITIO CALCULATIONS TO ORGANIC-MOLECULES .1. EQUILIBRIUM STRUCTURE AND FORCE CONSTANTS OF HYDROCARBONS
BLOM, CE
SLINGERLAND, PJ
ALTONA, C
[J]. MOLECULAR PHYSICS, 1976, 31 (05) : 1359 - 1376
[4] BLOM CE, IN PRESS
[5] HUNZIKER H, 1967, SPECTROCHIM ACTA A, V23, P2341
[6] ZERO-POINT AVERAGE STRUCTURE OF A MOLECULE CONTAINING 2 SYMMETRIC INTERNAL ROTORS - ACETONE
IIJIMA, T
[J]. BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1972, 45 (12) : 3526 - 3530
[7] MOLECULAR STRUCTURE OF PROPYLENE
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1961, 35 (04) : 1374 - &
[8] CH STRETCHING FREQUENCIES, BOND LENGTHS AND STRENGTHS IN ACETONE, ACETALDEHYDE, PROPENE AND ISOBUTENE
MCKEAN, DC
[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1975, 31 (07) : 861 - 870
[9] VIBRATIONAL SPECTRA OF 8 ISOTOPIC SPECIES AND FORCE CONSTANTS OF 2-BROMOPROPENE
MEYER, R
GUNTHARD, HH
[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR SPECTROSCOPY, 1967, A 23 (08): : 2341 - &
[10] INFRARED SPECTRA AND NORMAL COORDINATE TREATMENT OF 2-IODOPROPENE-D0 AND -D5
MEYER, R
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[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR SPECTROSCOPY, 1969, A 25 (01): : 295 - &

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