NON-EMPIRICAL PSEUDOPOTENTIALS (PSIBMOL ALGORITHM) FOR MOLECULAR CALCULATIONS - RH2CL2(CO)4 COMPLEX

被引：17

作者：

SERAFINI, A ^{[1
]}

POILBLANC, R ^{[1
]}

LABARRE, JF ^{[1
]}

BARTHELAT, JC ^{[1
]}

机构：

[1] UNIV TOULOUSE 3,PHYS QUANT LAB,F-31077 TOULOUSE,FRANCE

来源：

THEORETICA CHIMICA ACTA | 1978年 / 50卷 / 02期

关键词：

D O I：

10.1007/BF00550188

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

收藏

页码：159 / 167

页数：9

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共 16 条

[1] NON-EMPIRICAL PSEUDOPOTENTIALS FOR MOLECULAR CALCULATIONS .1. PSIBMOL ALGORITHM AND TEST CALCULATIONS
BARTHELAT, JC
DURAND, P
SERAFINI, A
[J]. MOLECULAR PHYSICS, 1977, 33 (01) : 159 - 180
[2] BARTHELAT JC, 1977, THESIS U P SABATIER
[3] STRUCTURE OF AND METAL-METAL BONDING IN RH(CO)2CL
DAHL, LF
MARTELL, C
WAMPLER, DL
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1961, 83 (07) : 1761 - &
[4] DAHL LF, 1969, J AM CHEM SOC, V91, P1953
[5] COMPARATIVE BONDING STUDY OF CONICAL FRAGMENTS
ELIAN, M
CHEN, MML
MINGOS, DMP
HOFFMANN, R
[J]. INORGANIC CHEMISTRY, 1976, 15 (05) : 1148 - 1155
[6] INFRARED SPECTRA AND DIPOLE MOMENTS OF RH2(CO)4CL2 AND RH2(CO)4BR2
GARLAND, CW
WILT, JR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (04) : 1094 - &
[7] GEOMETRIES OF AND BONDING IN BINUCLEAR AND POLYNUCLEAR METAL-COMPLEXES WITH BRIDGING LIGANDS
MASON, R
MINGOS, DMP
[J]. JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1973, 50 (01) : 53 - 61
[8] EXPLANATION FOR BENT STRUCTURE OF RH2CL2(CO)4
NORMAN, JG
GMUR, DJ
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (05) : 1446 - 1450
[9] ROUX M, 1956, J CHIM PHYS PCB, V54, P218
[10] EXTENSION OF CNDO-2 FORMALISM FOR STUDY OF TRANSITION-METAL COMPLEXES .2. CR(CO)6 AND FE(CO)5
SERAFINI, A
PELISSIER, M
SAVARIAULT, JM
CASSOUX, P
LABARRE, JF
[J]. THEORETICA CHIMICA ACTA, 1975, 39 (03): : 229 - 239