AN ABINITIO SCF-MO STUDY OF THE MOLECULAR-STRUCTURE AND PROPERTIES OF THE HYDROGEN-BONDED DIMERS OF ETHYNE AND ETHENE WITH HF AND HCL

被引：28

作者：

HINCHLIFFE, A

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1982年 / 85卷 / 5-6期

关键词：

D O I：

10.1016/0009-2614(82)80352-7

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：531 / 533

页数：3

相关论文

共 9 条

[1] Gaussian basis functions for use in molecular calculations. Contraction of (12s9p) atomic basis sets for the second row atoms
Dunning, T. H., Jr.
[J]. CHEMICAL PHYSICS LETTERS, 1970, 7 (04) : 423 - 427
[2] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .3. CONTRACTION OF (10S6P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (02) : 716 - +
[3] HYDROGEN-BONDING IN HCN...HF, HCN...HCL, CH3CH...HF AND CH3CH...HCL - AN ABINITIO SCF-MO STUDY
HINCHLIFFE, A
[J]. ADVANCES IN MOLECULAR RELAXATION AND INTERACTION PROCESSES, 1981, 19 (04): : 227 - 237
[4] DIPOLE MOMENT AND HYPERFINE PARAMETERS OF H(CL-35) AND D(CL-35)
KAISER, EW
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (05) : 1686 - &
[5] THE ROTATIONAL SPECTRUM AND MOLECULAR-STRUCTURE OF THE ACETYLENE-HCL DIMER
LEGON, AC
ALDRICH, PD
FLYGARE, WH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (02) : 625 - 630
[6] SPECTROSCOPIC INVESTIGATIONS OF HYDROGEN-BONDING INTERACTIONS IN THE GAS-PHASE .1. THE DETERMINATION OF THE GEOMETRY, DISSOCIATION-ENERGY, POTENTIAL CONSTANTS AND ELECTRIC-DIPOLE MOMENT OF THE HYDROGEN-BONDED HETERODIMER HCN...HF FROM ITS MICROWAVE ROTATIONAL SPECTRUM
LEGON, AC
MILLEN, DJ
ROGERS, SC
[J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 1980, 370 (1741): : 213 - 237
[7] NEUMANN DB, 1971, QCPE, V11, P199
[8] GAUSSIAN BASIS SET FOR MOLECULAR WAVEFUNCTIONS CONTAINING SECOND-ROW ATOMS
VEILLARD, A
[J]. THEORETICA CHIMICA ACTA, 1968, 12 (05): : 405 - &
[9] STARK EFFECT AND HYPERFINE STRUCTURE OF HYDROGEN FLUORIDE
WEISS, R
[J]. PHYSICAL REVIEW, 1963, 131 (02): : 659 - &