INCLUSION OF RELATIVISTIC EFFECTS INTO ZDO METHODS .2. SOLVATION OF METAL-COMPLEXES

被引：22

作者：

BOCA, R

机构：

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1988年 / 33卷 / 02期

关键词：

D O I：

10.1002/qua.560330207

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：159 / 167

页数：9

共 18 条

[1] INCLUSION OF RELATIVISTIC EFFECTS INTO ZDO METHODS .1. A QUASI-RELATIVISTIC CNDO/1 [J].

BOCA, R .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1987, 31 (06) :941-950

[2]

BOCA R, 1986, PROGRAM MOSEM5

[3]

BOCA R, IN PRESS

[4]

Desclaux J. P., 1974, Atomic Data and Nuclear Data Tables, V12, P311, DOI 10.1016/0092-640X(73)90020-X

[5] ELECTRONIC ABSORPTION-SPECTRA OF SQUARE-PLANAR CHLORO-AQUA AND BROMO-AQUA COMPLEXES OF PALLADIUM(II) AND PLATINUM(II) [J].

ELDING, LI ;

OLSSON, LF .

JOURNAL OF PHYSICAL CHEMISTRY, 1978, 82 (01) :69-74

[6] SOLVENT INTERACTION WITHIN HARTREE-FOCK SCF MOLECULAR-ORBITAL FORMALISM [J].

GERMER, HA .

THEORETICA CHIMICA ACTA, 1974, 34 (02) :145-155

[7] LIGAND-FIELD AND RYDBERG ASSIGNMENTS OF THE PTCL42- SPECTRUM - A RELATIVISTIC MS-X-ALPHA STUDY [J].

GOURSOT, A ;

CHERMETTE, H .

CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1985, 63 (07) :1407-1411

[8] X-ALPHA METHOD AS A TOOL FOR STRUCTURE ELUCIDATION OF SHORT-LIVED TRANSIENTS GENERATED BY PULSE-RADIOLYSIS OR FLASH-PHOTOLYSIS .1. REDUCTIVE REACTIONS OF PTCL62- [J].

GOURSOT, A ;

CHERMETTE, H ;

PENIGAULT, E ;

CHANON, M ;

WALTZ, WL .

INORGANIC CHEMISTRY, 1984, 23 (22) :3618-3625

[9]

HAY PJ, 1983, RELATIVISTIC EFFECTS, P396

[10] ELECTRONIC-STRUCTURE OF THE PDCL42- AND PTCL42- IONS [J].

LARSSON, S ;

OLSSON, LF ;

ROSEN, A .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1984, 25 (01) :201-209

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