CALCULATION OF 2-CENTER INTEGRALS IN SEMI-EMPIRICAL METHODS IN QUANTUM CHEMISTRY

被引：0

|

作者：

VADASH, PI

CHERNYAVSKII, LI

ZISLIN, VM

机构：

来源：

JOURNAL OF STRUCTURAL CHEMISTRY | 1977年 / 18卷 / 05期

关键词：

D O I：

暂无

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

引用

收藏

页码：632 / 635

页数：4

相关论文

共 50 条

[1] USE OF A NEW METHOD FOR CALCULATING 2-CENTER INTEGRALS IN THE SEMI-EMPIRICAL INDO METHOD
VADASH, PI
MAZALOV, LN
ZEIF, AP
KHUDOROZHKO, GF
[J]. JOURNAL OF STRUCTURAL CHEMISTRY, 1979, 20 (01) : 23 - 28
[2] EMPIRICAL PENETRATION FUNCTIONS AND 2-CENTER ELECTRON REPULSION INTEGRALS FOR SEMI-EMPIRICAL CALCULATIONS OF ELECTRONIC-STRUCTURE
PARRY, DE
WHITEHEAD, MA
[J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1982, 3 (02) : 265 - 268
[3] ABINITIO CALCULATION OF ONE-CENTER INTEGRALS OF SEMI-EMPIRICAL THEORIES OF VALENCE
FREED, KF
SUN, H
[J]. ISRAEL JOURNAL OF CHEMISTRY, 1980, 19 (1-4) : 99 - 108
[4] SEMI-EMPIRICAL METHODS OF QUANTUM-CHEMISTRY - SADLEJ,J
RICHARDS, G
[J]. NATURE, 1985, 318 (6045) : 416 - 416
[5] The Accuracy of Semi-Empirical Quantum Chemistry Methods on Soot Formation Simulation
Cong, Yang
Zhai, Yu
Chen, Xin
Li, Hui
[J]. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2022, 23 (21)
[6] ON THE RELATION BETWEEN SEMI-EMPIRICAL MO METHODS AND RIGOROUS METHODS IN QUANTUM-CHEMISTRY
LINDHOLM, E
ASBRINK, L
MANNE, R
[J]. PHYSICA SCRIPTA, 1983, 28 (03) : 377 - 380
[7] NUMERICAL-METHOD FOR THE CALCULATION OF 2-CENTER INTEGRALS
CHEN, ZF
BESSIS, D
MSEZANE, AZ
[J]. PHYSICAL REVIEW A, 1993, 47 (06): : 4756 - 4760
[8] Renaissance of semi-empirical methods: Fast computation of 2-electron integrals
Lopes, Pedro
[J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 254
[9] Comparison of empirical and semi-empirical calculation methods for venting of gas explosions
Razus, DM
Krause, U
[J]. FIRE SAFETY JOURNAL, 2001, 36 (01) : 1 - 23
[10] 2-CENTER INTEGRALS CALCULATION FOR COMPUTATION OF CHEMICAL-SHIFTS
BOUSCASSE, L
RAJZMANN, M
[J]. JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1979, 76 (7-8) : 720 - 721

← 1 2 3 4 5 →