ABINITIO MOLECULAR CALCULATIONS WITH PSEUDOPOTENTIALS - CALCULATIONS OF DOUBLE-ZETA QUALITY ON ETHYLENE, ACETYLENE, AND WATER

被引：3

作者：

GASPAR, R ^{[1
]}

机构：

[1] LAJOS KOSSUTH UNIV,INST THEORET PHYS,H-4010 DEBRECEN,HUNGARY

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1982年 / 22卷 / 02期

关键词：

D O I：

10.1002/qua.560220216

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

页码：415 / 420

页数：6

共 50 条

[1] ABINITIO MOLECULAR FRAGMENT CALCULATIONS WITH PSEUDOPOTENTIALS - HYDROCARBON CALCULATIONS OF DOUBLE-ZETA QUALITY
GASPAR, R
GASPAR, R
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1979, 15 (06) : 567 - 578
[2] ABINITIO MOLECULAR CALCULATIONS WITH PSEUDOPOTENTIALS - CALCULATIONS OF DOUBLE-ZETA QUALITY ON BEH2, BH3, CH4, AND C2H6
GASPAR, R
GASPAR, R
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1979, 15 (06) : 559 - 566
[3] ABINITIO MOLECULAR FRAGMENT CALCULATIONS WITH PSEUDOPOTENTIALS
GASPAR, R
GASPAR, R
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1979, 16 (01) : 57 - 64
[4] ABINITIO MOLECULAR CALCULATIONS WITH PSEUDOPOTENTIALS - HIGHER QUALITY CALCULATIONS ON LI-2, LIH, AND BEH2
GASPAR, R
GASPAR, R
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1982, 22 (02) : 421 - 427
[5] ABINITIO MOLECULAR FRAGMENT CALCULATIONS WITH PSEUDOPOTENTIALS - MODEL PEPTIDE STUDIES
GASPAR, R
GASPAR, R
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1983, 24 (06) : 767 - 771
[6] ABINITIO CALCULATIONS USING SPHERICAL GAUSSIAN ORBITALS ON WATER, METHANE, ACETYLENE, ETHYLENE, ETHANE AND DIBORANE
ARCHIBALD, RM
ARMSTRONG, DR
PERKINS, PG
REVUE ROUMAINE DE CHIMIE, 1975, 20 (11-1) : 1371 - 1411
[7] DOUBLE-ZETA LCAO SCF MO CALCULATIONS FOR NO2- AND OF2
BONACCOR.R
PETRONGO.C
SCROCCO, E
TOMASI, J
JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (04): : 1497 - &
[8] ABINITIO MOLECULAR FRAGMENT CALCULATIONS WITH PSEUDOPOTENTIALS - SOME FRAGMENTS CONTAINING NITROGEN AND OXYGEN
GASPAR, R
GASPAR, R
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1981, 19 (04) : 501 - 503
[9] ATOMIC BASIS SET CALCULATIONS WITH ABINITIO RELATIVISTIC PSEUDOPOTENTIALS
MARKETOS, P
ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS, 1989, 13 (02): : 83 - 88
[10] USE OF PSEUDOPOTENTIALS IN MOLECULAR CALCULATIONS
GRESH, N
PULLMAN, A
THEORETICA CHIMICA ACTA, 1978, 49 (04): : 283 - 294

← 1 2 3 4 5 →