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

[1] INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP THEORY FOR TRANSITION-METAL COMPLEXES - FE, CO AND CU CHLORIDES [J]. THEORETICA CHIMICA ACTA, 1979, 53 (01): : 21 - 54

[2] CNDO MO CALCULATIONS FOR HYDROGEN-ATOM ADSORPTION ON NICKEL ATOM CLUSTERS [J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (08) : 3193 - 3197

[3] BOCA R, 1985, PROGRAM MOSEM4

[4] MOLECULAR-ORBITAL THEORY OF ORGANOMETALLIC COMPOUNDS .7. A COMPARISON OF 3D RADIAL WAVE FUNCTIONS OF FIRST TRANSITION SERIES [J]. JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1966, (07): : 941 - &

[5] ALL-VALENCE ELECTRON CNDO CALCULATIONS ON TRANSITION-METAL COMPLEXES [J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (08) : 3503 - +

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

[7] CALCULATION OF TRANSITION-METAL COMPOUNDS USING AN EXTENSION OF THE CNDO FORMALISM .1. METHOD OF CALCULATION AND APPLICATION TO MONONUCLEAR,DINUCLEAR, AND TETRANUCLEAR COMPOUNDS [J]. THEORETICA CHIMICA ACTA, 1979, 51 (02): : 145 - 162

[8] AB-INITIO STUDIES OF THE ELECTRONIC-STRUCTURE OF UF6, UF6+, AND UF-6 USING RELATIVISTIC EFFECTIVE CORE POTENTIALS [J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (04) : 1767 - 1779

[9] ELECTRONIC-STRUCTURE OF MOLECULES USING ONE-COMPONENT WAVE-FUNCTIONS AND RELATIVISTIC EFFECTIVE CORE POTENTIALS [J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1984, 25 (01) : 149 - 183

[10] ELECTRONIC-STRUCTURE OF TRANSITION-METAL COMPLEXES .1. PARAMETRIZATION FOR CNDO-2 METHOD [J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1980, 18 (02) : 403 - 408

[1] INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP THEORY FOR TRANSITION-METAL COMPLEXES - FE, CO AND CU CHLORIDES [J]. THEORETICA CHIMICA ACTA, 1979, 53 (01): : 21 - 54

[2] CNDO MO CALCULATIONS FOR HYDROGEN-ATOM ADSORPTION ON NICKEL ATOM CLUSTERS [J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (08) : 3193 - 3197

[3] BOCA R, 1985, PROGRAM MOSEM4

[4] MOLECULAR-ORBITAL THEORY OF ORGANOMETALLIC COMPOUNDS .7. A COMPARISON OF 3D RADIAL WAVE FUNCTIONS OF FIRST TRANSITION SERIES [J]. JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1966, (07): : 941 - &

[5] ALL-VALENCE ELECTRON CNDO CALCULATIONS ON TRANSITION-METAL COMPLEXES [J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (08) : 3503 - +

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

[7] CALCULATION OF TRANSITION-METAL COMPOUNDS USING AN EXTENSION OF THE CNDO FORMALISM .1. METHOD OF CALCULATION AND APPLICATION TO MONONUCLEAR,DINUCLEAR, AND TETRANUCLEAR COMPOUNDS [J]. THEORETICA CHIMICA ACTA, 1979, 51 (02): : 145 - 162

[8] AB-INITIO STUDIES OF THE ELECTRONIC-STRUCTURE OF UF6, UF6+, AND UF-6 USING RELATIVISTIC EFFECTIVE CORE POTENTIALS [J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (04) : 1767 - 1779

[9] ELECTRONIC-STRUCTURE OF MOLECULES USING ONE-COMPONENT WAVE-FUNCTIONS AND RELATIVISTIC EFFECTIVE CORE POTENTIALS [J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1984, 25 (01) : 149 - 183

[10] ELECTRONIC-STRUCTURE OF TRANSITION-METAL COMPLEXES .1. PARAMETRIZATION FOR CNDO-2 METHOD [J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1980, 18 (02) : 403 - 408