SOLVENT INTERACTION WITHIN HARTREE-FOCK SCF MOLECULAR-ORBITAL FORMALISM

被引：157

作者：

GERMER, HA ^{[1
]}

机构：

[1] UNIV TEXAS,MED BRANCH,PHYSIOL DEPT,GALVESTON,TX 77550

来源：

THEORETICA CHIMICA ACTA | 1974年 / 34卷 / 02期

关键词：

D O I：

10.1007/BF00551365

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：145 / 155

页数：11

共 24 条

[1] Volumes and hydration warmth of ions
Born, M
[J]. ZEITSCHRIFT FUR PHYSIK, 1920, 1 : 45 - 48
[2] NUCLEAR MAGNETIC RESONANCE STUDIES OF HINDERED INTERNAL ROTATION OF NN-DISUBSTITUTED AMIDES .7. SOLVENT EFFECTS ON N-METHYL RESONANCE SHIFTS AND ACTIVATION PARAMETERS
CALZOLAR.A
CONTI, F
[J]. JOURNAL OF THE CHEMICAL SOCIETY B-PHYSICAL ORGANIC, 1970, (03): : 555 - &
[3] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .14. POINT CHARGE PERTURBATION ON PERIODIC SYSTEMS
CLEMENTI, E
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (06) : 2492 - &
[4] MULLIKEN TYPE MO CALCULATIONS WITH EXACT KINETIC-ENERGY
GERMER, HA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (08) : 3524 - 3525
[5] STUDIES IN SPECTROSCOPY .9. FURTHER STUDIES ON NITROSAMINES AND NITRITES
HASZELDINE, RN
MATTINSON, BJH
[J]. JOURNAL OF THE CHEMICAL SOCIETY, 1955, : 4172 - 4185
[6] STRUCTURAL STUDIES BY NUCLEAR MAGNETIC RESONANCE .9. CONFIGURATIONS + CONFORMATIONS OF N-NITROSAMINES
KARABATSOS, GJ
TALLER, RA
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1964, 86 (20) : 4373 - &
[7] Solvations: A semi-empirical procedure for including solvation in quantum mechanical calculations of large molecules
Klopman, G.
[J]. CHEMICAL PHYSICS LETTERS, 1967, 1 (05) : 200 - 202
[8] MICROWAVE SPECTRUM, STRUCTURE, DIPOLE MOMENT, AND QUADRUPOLE COUPLIN CONSTANTS OF FORMAMIDE
KURLAND, RJ
WILSON, EB
[J]. JOURNAL OF CHEMICAL PHYSICS, 1957, 27 (02) : 585 - 590
[9] BASICITY OF N-NITROSAMINES .1. NON-POLAR SOLVENTS
LAYNE, WS
ZIMMER, H
JAFFE, HH
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1963, 85 (04) : 435 - &
[10] SOLVENT EFFECTS ON ULTRAVIOLET SPECTRA OF N,N-DIMETHYLFORMAMIDE
MAYAHI, MF
ALTAIAR, AH
ALBALDAW.SA
HUSSAIN, HA
[J]. CANADIAN JOURNAL OF CHEMISTRY, 1966, 44 (18): : 2224 - &

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