MULLIKEN TYPE MO CALCULATIONS WITH EXACT KINETIC-ENERGY

被引：6

作者：

GERMER, HA ^{[1
]}

机构：

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

来源：

JOURNAL OF CHEMICAL PHYSICS | 1973年 / 58卷 / 08期

关键词：

D O I：

10.1063/1.1679687

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：3524 / 3525

页数：2

共 13 条

[1] GROUND STATES OF SIGMA-BONDED MOLECULES .4. MINDO METHOD AND ITS APPLICATION TO HYDROCARBONS
BAIRD, NC
DEWAR, MJS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (03) : 1262 - &
[2] GROUND STATES OF SIGMA-BONDED MOLECULES .V. MINDO TREATMENT OF ORGANIC COMPOUNDS CONTAINING NITROGEN OR OXYGEN
BAIRD, NC
DEWAR, MJS
SUSTMANN, R
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (03) : 1275 - &
[3] COMPARISON OF CNDO AND MULLIKEN SEMIEMPIRICAL MOLECULAR ORBITAL METHODS
JESAITIS, RG
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (16) : 3849 - &
[4] ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .1.
MULLIKEN, RS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (10) : 1833 - 1840
[5] *QUELQUES ASPECTS DE LA THEORIE DES ORBITALES MOLECULAIRES (SUITE ET FIN)
MULLIKEN, RS
[J]. JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1949, 46 (11-1) : 675 - 713
[6] *QUELQUES ASPECTS DE LA THEORIE DES ORBITALES MOLECULAIRES
MULLIKEN, RS
[J]. JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1949, 46 (9-10) : 497 - 542
[7] MULLIKEN RS, 1955, J CHEM PHYS, V23, P1941
[8] GAUSSIAN EXPANSIONS OF ATOMIC ORBITALS
OOHATA, K
TAKETA, H
HUZINAGA, S
[J]. JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1966, 21 (11) : 2306 - &
[9] MOLECULAR SCF CALCULATIONS ON CH4 C2H2 C2H4 C2H6 BH3 B2H6 NH3 AND HCN
PALKE, WE
LIPSCOMB, WN
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1966, 88 (11) : 2384 - &
[10] APPROXIMATE SELF-CONSISTENT MOLECULAR-ORBITAL THEORY .5. INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP
POPLE, JA
BEVERIDGE, DL
DOBOSH, PA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (06) : 2026 - +

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