AB INITIO LCAO SCF MO CALCULATIONS OF TETRAHYDRO ALUMINATE ANION

被引：0

作者：

徐光宪 ^{[1
]}

施鼐 ^{[1
]}

朱芝仙 ^{[1
]}

韩玉真 ^{[1
]}

邓坤杰 ^{[1
]}

王德民 ^{[1
]}

黎乐民 ^{[1
]}

机构：

[1] Peling University

来源：

Science China Mathematics | 1981年 / 07期

关键词：

AIH; MO; SCF; STO; AB INITIO LCAO SCF MO CALCULATIONS OF TETRAHYDRO ALUMINATE ANION;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

The electronic structure of tetrahydro aluminate anion, HAI, has been calculated by anab initio LCAO SCF MO program using DJS-18 computer. The results obtained show con-siderable improvement over those reported in the literature.

引用

页码：956 / 961

页数：6

共 50 条

[1] AB INITIO LCAO SCF MO CALCULATIONS OF TETRAHYDRO ALUMINATE ANION
徐光宪
施鼐
朱芝仙
韩玉真
邓坤杰
王德民
黎乐民
ScienceinChina,SerA., 1981, Ser.A.1981 (07) : 956 - 961
[2] ABINITIO LCAO SCF-MO CALCULATIONS OF TETRAHYDRO ALUMINATE ANION
XU, GX
SHI, N
ZHU, ZX
HAN, YZ
DENG, KJ
WANG, DM
LI, LM
SCIENTIA SINICA, 1981, 24 (07): : 956 - 961
[3] AB-INITIO SCF LCAO MO CALCULATIONS ON STYRENE
ALMLOF, JE
ISACSSON, PU
MJOBERG, PJ
RALOWSKI, WM
CHEMICAL PHYSICS LETTERS, 1974, 26 (02) : 215 - 217
[4] PHOTOELECTRON SPECTROSCOPY AND AB-INITIO LCAO MO SCF CALCULATIONS ON THIAZYL FLUORIDE
DEKOCK, RL
BREEZE, A
LEMPKA, HJ
LLOYD, DR
COLLINS, GAD
CRUICKSHANK, DW
CHEMICAL PHYSICS LETTERS, 1972, 14 (04) : 525 - +
[5] AB-INITIO LCAO-MO-SCF CALCULATIONS ON LIGHT ELEMENT LITHIUM COMPOUNDS
KAUFMAN, JJ
HEATON, MM
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1972, 164 (AUG-S): : 26 - &
[6] AB-INITIO LCAO MO SCF CI CALCULATIONS ON THE ELECTRONIC-STRUCTURE OF THE CYCLOPROPENYL CATION
TAKADA, T
OHNO, K
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1979, 52 (02) : 334 - 338
[7] An ab initio SCF LCAO MO study of the electronic structure of ammonia
Tinland, B.
CHEMICAL PHYSICS LETTERS, 1968, 2 (07) : 433 - 434
[8] TECHNIQUE FOR ORBITAL EXPONENT OPTIMIZATION IN AB-INITIO HF-SCF-LCAO-MO CALCULATIONS
LOUBRIEL, GM
SELSBY, RG
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, 8 (04) : 547 - 557
[9] CYCLOOCTATETRAENE AND RELATED SYSTEMS - AB INITIO SCF LCAO MO STUDY
WIPFF, G
WAHLGREN, U
KOCHANSKI, E
LEHN, JM
CHEMICAL PHYSICS LETTERS, 1971, 11 (03) : 350 - +
[10] AB-INITIO LCAO-MO-SCF CALCULATIONS OF MORPHINE AND NALORPHINE AND MEASUREMENT OF THEIR PHOTOELECTRON-SPECTRA
POPKIE, HE
KOSKI, WS
KAUFMAN, JJ
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (06) : 1342 - 1345

← 1 2 3 4 5 →