QUANTUM CHEMICAL CALCULATIONS ON ELECTRONIC CALCULATOR RAZDAN 3 .3. INFLUENCE OF GAMMAIK-METHOD OF CALCULATION IN SCF-LCAO-MO-PPP-CI-CALCULATIONS

被引：0

作者：

VANDORFFY, MT ^{[1
]}

HENCSEI, P ^{[1
]}

NAGY, J ^{[1
]}

机构：

[1] TECH UNIV BUDAPEST, DEPT ANORG CHEM, H-1521 BUDAPEST, HUNGARY

来源：

PERIODICA POLYTECHNICA-CHEMICAL ENGINEERING | 1974年 / 18卷 / 04期

关键词：

D O I：

暂无

中图分类号：

TQ [化学工业];

学科分类号：

0817 ;

摘要：

引用

页码：295 / 307

页数：13

共 17 条

[1] QUANTUM CHEMICAL CALCULATIONS ON ELECTRONIC-COMPUTER RAZDAN-3 .1. SCF-LCAO-MO-PPP-CI CALCULATIONS
NAGY, J
VANDORFF.MT
HORVATH, I
[J]. PERIODICA POLYTECHNICA-CHEMICAL ENGINEERING, 1972, 16 (01) : 55 - +
[2] QUANTUM CHEMICAL CALCULATIONS ON THE RAZDAN-3 COMPUTER .4. MODIFIED PROGRAMM FOR LCAO-MO-SCF-PPP-CI CALCULATIONS
HORVATH, I
VANDORFFY, MT
[J]. PERIODICA POLYTECHNICA-CHEMICAL ENGINEERING, 1979, 23 (01) : 37 - 42
[3] CALCULATIONS FOR QUANTUM CHEMISTRY USING RAZDAN-3 ELECTRONIC-COMPUTER .2. VSCF-LCAO-MO-PPP-CALCULATIONS
NAGY, J
VANDORFF.MT
HORVATH, I
[J]. PERIODICA POLYTECHNICA-CHEMICAL ENGINEERING, 1973, 17 (02) : 111 - 123
[4] NON-EMPIRICAL LCAO-MO-SCF-CI CALCULATIONS ON ORGANIC MOLECULES WITH GAUSSIAN TYPE FUNCTIONS .3. ATOMIC CALCULATIONS
SEUNG, SS
HARRISON, MC
CSIZMADI.IG
[J]. THEORETICA CHIMICA ACTA, 1967, 8 (04): : 281 - &
[5] LCAO-MO-SCF CALCULATIONS USING GAUSSIAN BASIS FUNCTION .3. DETERMINATION OF GEOMETRY BY SCF CALCULATIONS, CF2
SACHS, LM
GELLER, M
KAUFMAN, JJ
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (07): : 2771 - &
[6] LCAO-MO-SCF-CI SEMI-EMPIRICAL PI-ELECTRON CALCULATIONS ON HETEROAROMATIC SYSTEMS .3. AAZINES
PUKANIC, GW
FORSHEY, DR
WEGENER, JD
GREENSHI.JB
[J]. THEORETICA CHIMICA ACTA, 1968, 10 (03): : 240 - &
[7] QUANTUM CHEMICAL CALCULATIONS ON BORON HYDRIDES AND CARBORANES BY LCAO-MO-SCF CALCULATIONS (AB-INITIO AND MODPOT) AND BY MS-XALPHA METHOD
KAUFMAN, JJ
POPKIE, HE
PRESTON, HJT
[J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1977, 173 (MAR20): : 173 - 173
[8] INVESTIGATION OF INTERACTION BETWEEN MOLECULES AT MEDIUM DISTANCES .3. SCF LCAO MO SUPERMOLECULE, PERTURBATIONAL AND MCF CALCULATIONS FOR 2 AND 3 INTERACTING MOLECULES
OTTO, P
[J]. CHEMICAL PHYSICS, 1978, 33 (03) : 407 - 414
[9] ELECTRONIC SPECTROSCOPY OF MALEIMIDE AND ITS ISOELECTRONIC MOLECULES .3. QUANTUM CHEMICAL CALCULATIONS
SELISKAR, CJ
MCGLYNN, SP
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (04): : 1417 - &
[10] SEMIEMPIRICAL MO-LCAO CALCULATIONS OF SUBSTITUTED STYRENES .3. TOTAL VALENCE ELECTRON CALCULATION IN CNDO/2 APPROXIMATION
GEY, E
[J]. ZEITSCHRIFT FUR CHEMIE, 1971, 11 (10): : 392 - +

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