COMPACT CONTRACTED GAUSSIAN-TYPE BASIS-SETS FOR HALOGEN ATOMS - BASIS-SET SUPERPOSITION EFFECTS ON MOLECULAR-PROPERTIES

被引：101

作者：

ANDZELM, J

KLOBUKOWSKI, M

RADZIOANDZELM, E

机构：

来源：

JOURNAL OF COMPUTATIONAL CHEMISTRY | 1984年 / 5卷 / 02期

关键词：

D O I：

10.1002/jcc.540050205

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

收藏

页码：146 / 161

页数：16

相关论文

共 34 条

[1] ALMLOF T, 1972, USIP7209 U STOCKH RE
[2] CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS
BOYS, SF
BERNARDI, F
[J]. MOLECULAR PHYSICS, 1970, 19 (04) : 553 - &
[3] CARBO R, 1977, COMMUNICATION
[4] CARSKY P, 1980, LECTURE NOTES CHEM, V16
[5] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .17. GEOMETRIES AND BINDING-ENERGIES OF 2ND-ROW MOLECULES - COMPARISON OF 3 BASIS SETS
COLLINS, JB
SCHLEYER, PV
BINKLEY, JS
POPLE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (12) : 5142 - 5151
[6] EXTENDED HARTREE-FOCK WAVENFUNCTIONS - OPTIMIZED VALENCE CONFIGURATIONS FOR H2 AND LI2 OPTIMIZED DOUBLE CONFIGURATIONS FOR F2
DAS, G
WAHL, AC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (01) : 87 - &
[7] ELBERT ST, 1980, NAT RESOUR COMPUT CH, V1
[8] MODEL POTENTIAL SCF CALCULATIONS ON CL2, BR2, AND I2
GROPEN, O
HUZINAGA, S
MCLEAN, AD
[J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (01) : 402 - 406
[9] HERZBERG G, 1967, SPECTRA DIATOMIC MOL
[10] BASIS SET SUPERPOSITION EFFECTS ON PROPERTIES OF INTERACTING SYSTEMS - DIPOLE-MOMENTS AND POLARIZABILITIES
KARLSTROM, G
SADLEJ, AJ
[J]. THEORETICA CHIMICA ACTA, 1982, 61 (01): : 1 - 9

← 1 2 3 4 →