EFFICIENT DIFFUSE FUNCTION-AUGMENTED BASIS SETS FOR ANION CALCULATIONS. III. THE 3-21+G BASIS SET FOR FIRST-ROW ELEMENTS, LI-F

被引：7148

作者：

CLARK, T

CHANDRASEKHAR, J

SPITZNAGEL, GW

SCHLEYER, PV

机构：

来源：

JOURNAL OF COMPUTATIONAL CHEMISTRY | 1983年 / 4卷 / 03期

关键词：

D O I：

10.1002/jcc.540040303

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

收藏

页码：294 / 301

页数：8

相关论文

共 44 条

[21] HEHRE WJ, COMMUNICATION
[22] HOPKINSON AC, 1977, PROG THEOR ORG CHEM, V2, P194
[23] STABILITY OF ALKYL ANIONS - MOLECULAR-ORBITAL THEORETICAL-STUDY
KOLLMAR, H
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (09) : 2665 - 2669
[24] APPROXIMATE 4TH-ORDER PERTURBATION-THEORY OF ELECTRON CORRELATION ENERGY
KRISHNAN, R
POPLE, JA
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1978, 14 (01) : 91 - 100
[25] FLUOROFORMATE ION, FCO2- - ION-CYCLOTRON RESONANCE STUDY OF GAS-PHASE LEWIS ACIDITY OF CARBON-DIOXIDE AND RELATED ISOELECTRONIC SPECIES
MCMAHON, TB
NORTHCOTT, CJ
[J]. CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1978, 56 (08): : 1069 - 1074
[26] PAYNE PW, 1977, MODERN THEORETICAL C, V4, P29
[27] POPLE JA, 1976, INT J QUANTUM CHEM, P1
[28] POPLE JA, COMMUNICATION
[29] GEOMETRY OPTIMIZATION IN AB-INITIO MOLECULAR-ORBITAL THEORY
POPPINGER, D
[J]. CHEMICAL PHYSICS LETTERS, 1975, 34 (02) : 332 - 336
[30] STRUCTURES OF SIMPLE ANIONS FROM AB-INITIO MOLECULAR-ORBITAL CALCULATIONS
RADOM, L
[J]. AUSTRALIAN JOURNAL OF CHEMISTRY, 1976, 29 (08) : 1635 - 1640

← 1 2 3 4 5 →