MOLECULAR-ORBITAL THEORY OF THE PROPERTIES OF INORGANIC AND ORGANOMETALLIC COMPOUNDS .1. STO-NG BASIS-SETS FOR 3RD-ROW MAIN-GROUP ELEMENTS

被引：135

作者：

PIETRO, WJ

LEVI, BA

HEHRE, WJ

STEWART, RF

机构：

[1] UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717

[2] CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213

来源：

INORGANIC CHEMISTRY | 1980年 / 19卷 / 08期

关键词：

D O I：

10.1021/ic50210a005

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

引用

页码：2225 / 2229

页数：5

共 25 条

[11] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .2. ENERGY SURFACES FOR A WATER MOLECULE IN FIELD OF A SODIUM OR POTASSIUM CATION
KISTENMACHER, H
POPKIE, H
CLEMENTI, E
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (04) : 1689 - 1699
[12] LATHAN WA, 1974, PROGR PHYS ORG CHEM, V11, P175
[13] KRYPTON MONOFLUORIDE AND ITS POSITIVE ION
LIU, B
SCHAEFER, HF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (05) : 2369 - &
[14] THEORETICAL ANALYSIS OF ELECTRONIC STRUCTURE AND MOLECULAR PROPERTIES OF ALKALI HALIDES .6. RUBIDIUM FLUORIDE AND SODIUM BROMIDE
MATCHA, RL
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (12) : 4490 - +
[15] THEORETICAL ANALYSIS OF ELECTRONIC STRUCTURE AND MOLECULAR PROPERTIES OF ALKALI HALIDES .5. POTASSIUM CHLORIDE AND LITHIUM BROMIDE
MATCHA, RL
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (02) : 485 - &
[16] NON-EMPIRICAL VALENCE-SHELL SELF-CONSISTENT FIELD MOLECULAR-ORBITAL CALCULATIONS ON GROUP-5 TRI-HALIDES AND PENTA-HALIDES
MURRELL, JN
SCOLLARY, CE
[J]. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1976, (09): : 818 - 822
[17] ARSENIC MONOFLUORIDE (ASF,SIGMA-3) - DISSOCIATION ENTHALPY, IONIZATION-POTENTIAL, ELECTRON AFFINITY, DIPOLE-MOMENT, SPECTROSCOPIC CONSTANTS, AND IDEAL GAS THERMODYNAMIC FUNCTIONS FROM A HARTREE-FOCK MOLECULAR-ORBITAL INVESTIGATION
OHARE, PAG
BATANA, A
WAHL, AC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (12) : 6495 - 6501
[18] SELF-CONSISTENT ORBITALS FOR RADICALS
POPLE, JA
NESBET, RK
[J]. JOURNAL OF CHEMICAL PHYSICS, 1954, 22 (03) : 571 - 572
[19] COMPUTATION OF ELECTRON REPULSION INTEGRALS INVOLVING CONTRACTED GAUSSIAN BASIS FUNCTIONS
POPLE, JA
HEHRE, WJ
[J]. JOURNAL OF COMPUTATIONAL PHYSICS, 1978, 27 (02) : 161 - 168
[20] POPLE JA, 1977, MODERN THEORETICAL C, V4, P1

← 1 2 3 →