BASIS-SET EFFECTS IN THE QUANTUM-MECHANICAL DESCRIPTION OF TRANSITION-METAL COMPLEXES

[1] Self-consistent molecular Hartree-Fock-Slater calculations - I. The computational procedure [J]. CHEMICAL PHYSICS, 1973, 2 (01) : 41 - 51

[2] Self-consistent molecular Hartree-Fock-Slater calculations - II. The effect of exchange scaling in some small molecules [J]. CHEMICAL PHYSICS, 1973, 2 (01) : 52 - 59

[3] ELECTRONIC-STRUCTURE OF TRANSITION-METAL CARBONYL-COMPLEXES - COMPARISON OF HARTREE-FOCK-SLATER CALCULATIONS WITH UV PHOTOELECTRON-SPECTRA AND IR AND RAMAN DATA [J]. MOLECULAR PHYSICS, 1975, 30 (06) : 1735 - 1747

[4] BAERENDS EJ, 1978, INT J QUANTUM CHEM, V12, P169

[5] BASIS SET AND ELECTRON CORRELATION EFFECTS ON TOTAL ELECTRON-DENSITY IN H2O, H2S, AND BH [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (03) : 732 - 739

[6] Cade P. E., 1972, Transactions of the American Crystallographic Association, V8, P1

[7] ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) : 2686 - &

[8] AB INITIO COMPUTATIONS IN ATOMS AND MOLECULES [J]. IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1965, 9 (01) : 2 - &

[9] MOLECULAR CHARGE-DISTRIBUTION OF CO [J]. CHEMICAL PHYSICS LETTERS, 1975, 30 (02) : 279 - 283

[10] ELECTRONIC-STRUCTURE OF CHROMIUM HEXACARBONYL AT LIQUID-NITROGEN TEMPERATURE .2. EXPERIMENTAL-STUDY (X-RAY AND NEUTRON-DIFFRACTION) OF SIGMA-BONDING AND PI-BONDING [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (25) : 7918 - 7924

[1] Self-consistent molecular Hartree-Fock-Slater calculations - I. The computational procedure [J]. CHEMICAL PHYSICS, 1973, 2 (01) : 41 - 51

[2] Self-consistent molecular Hartree-Fock-Slater calculations - II. The effect of exchange scaling in some small molecules [J]. CHEMICAL PHYSICS, 1973, 2 (01) : 52 - 59

[3] ELECTRONIC-STRUCTURE OF TRANSITION-METAL CARBONYL-COMPLEXES - COMPARISON OF HARTREE-FOCK-SLATER CALCULATIONS WITH UV PHOTOELECTRON-SPECTRA AND IR AND RAMAN DATA [J]. MOLECULAR PHYSICS, 1975, 30 (06) : 1735 - 1747

[4] BAERENDS EJ, 1978, INT J QUANTUM CHEM, V12, P169

[5] BASIS SET AND ELECTRON CORRELATION EFFECTS ON TOTAL ELECTRON-DENSITY IN H2O, H2S, AND BH [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (03) : 732 - 739

[6] Cade P. E., 1972, Transactions of the American Crystallographic Association, V8, P1

[7] ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) : 2686 - &

[8] AB INITIO COMPUTATIONS IN ATOMS AND MOLECULES [J]. IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1965, 9 (01) : 2 - &

[9] MOLECULAR CHARGE-DISTRIBUTION OF CO [J]. CHEMICAL PHYSICS LETTERS, 1975, 30 (02) : 279 - 283

[10] ELECTRONIC-STRUCTURE OF CHROMIUM HEXACARBONYL AT LIQUID-NITROGEN TEMPERATURE .2. EXPERIMENTAL-STUDY (X-RAY AND NEUTRON-DIFFRACTION) OF SIGMA-BONDING AND PI-BONDING [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (25) : 7918 - 7924