UNIFORM QUALITY GAUSSIAN BASIS SETS FOR ORGANOSILICON COMPOUNDS

被引：9

作者：

MEZEY, PG ^{[1
]}

YATES, K ^{[1
]}

THEODORAKOPOULOS, G ^{[1
]}

CSIZMADIA, IG ^{[1
]}

机构：

[1] UNIV TORONTO,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1977年 / 12卷 / 02期

关键词：

D O I：

10.1002/qua.560120203

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

收藏

页码：247 / 254

页数：8

相关论文

共 13 条

[1] CORE EXCITATION-SPECTRA OF CH4 AND SIH4
DEUTSCH, PW
KUNZ, AB
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (03) : 1155 - 1158
[2] QUALITY OF GAUSSIAN BASIS SETS - DIRECT OPTIMIZATION OF ORBITAL EXPONENTS BY METHOD OF CONJUGATE GRADIENTS
KARI, RE
MEZEY, PG
CSIZMADIA, IG
[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (01) : 581 - 585
[3] INTERDEPENDENCE AND OPTIMIZATION OF GAUSSIAN FUNCTION REPRESENTATIONS FOR FLUORINE ATOM
KARI, RE
MEZEY, PG
CSIZMADIA, IG
[J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (02) : 632 - 637
[4] BOND ORBITAL CALCULATIONS ON METHANE AND SILANE MOLECULES
KOHDA, S
KATAGIRI, S
[J]. BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1973, 46 (05) : 1428 - 1432
[5] ESTIMATES OF SOME MOLECULAR RELATIVISTIC ENERGIES FROM SINGLE-CENTRE EXPANSIONS
MACKRODT, WC
[J]. MOLECULAR PHYSICS, 1970, 18 (05) : 697 - +
[6] UNIFORM QUALITY GAUSSIAN BASIS SETS
MEZEY, PG
KARI, RE
CSIZMADIA, IG
[J]. JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (03) : 964 - 969
[7] POLARIZATION GAUSSIAN P-FUNCTIONS FOR BERYLLIUM ATOM - ABINITIO CALCULATIONS ON BEH2 AND BEH+
MEZEY, PG
CSIZMADIA, IG
STRAUSZ, OP
[J]. CANADIAN JOURNAL OF PHYSICS, 1975, 53 (22) : 2512 - 2516
[8] OPTIMUM GAUSSIAN BASIS SET FOR BROMINE ATOM - ABINITIO CALCULATIONS ON HBR MOLECULE
MEZEY, PG
LIEN, MH
YATES, K
CSIZMADIA, IG
[J]. THEORETICA CHIMICA ACTA, 1975, 40 (01): : 75 - 80
[9] MEZEY PG, IN PRESS
[10] CALCULATIONS OF FORCE CONSTANTS AND DIPOLE MOMENT DERIVATIVES IN SILANE
PALKE, WE
[J]. CHEMICAL PHYSICS LETTERS, 1971, 12 (01) : 150 - &