SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES

被引：10432

作者：

DITCHFIELD, R

HEHRE, WJ

POPLE, JA

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1971年 / 54卷 / 02期

关键词：

D O I：

10.1063/1.1674902

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

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页码：724 / +

页数：1

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共 22 条

[1] QUANTUM THEORY OF STRUCTURE AND DYNAMICS
ALLEN, LC
[J]. ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1969, 20 : 315 - +
[2] ELECTRONIC SPECTRA OF ISOELECTRONIC AMIDES ACIDS AND ACYL FLUORIDES
BASCH, H
ROBIN, MB
KUEBLER, NA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (11) : 5007 - &
[3] ELECTRONIC STATES OF AMIDE GROUP
BASCH, H
ROBIN, MB
KUEBLER, NA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (04) : 1201 - &
[4] ELECTRONIC WAVE FUNCTIONS .1. A GENERAL METHOD OF CALCULATION FOR THE STATIONARY STATES OF ANY MOLECULAR SYSTEM
BOYS, SF
[J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1950, 200 (1063): : 542 - 554
[5] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .3. PYRROLE GROUND-STATE WAVEFUNCTION
CLEMENTI, E
CLEMENTI, H
DAVIS, DR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (12) : 4725 - &
[6] BARRIER TO INTERNAL ROTATION IN ETHANE
CLEMENTI, E
DAVIS, DR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (07) : 2593 - +
[7] Clementi E, 1967, J COMPUT PHYS, V2, P223
[8] SELF-CONSISTENT MOLECULAR ORBITAL METHODS .6. ENERGY OPTIMIZED GAUSSIAN ATOMIC ORBITALS
DITCHFIELD, R
HEHRE, WJ
POPLE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (10) : 5001 - +
[9] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS
HEHRE, WJ
STEWART, RF
POPLE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (06) : 2657 - +
[10] SELF-CONSISTENT MOLECULAR ORBITAL METHODS .4. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ORBITALS - EXTENSION TO SECOND-ROW MOLECULES
HEHRE, WJ
DITCHFIELD, R
STEWART, RF
POPLE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (05) : 2769 - +