SEMIEMPIRICAL METHODS - CURRENT STATUS AND PERSPECTIVES

[1] TRANSITION-STATE GEOMETRIES AND STEREOSELECTIVITY OF ALKYLIDENECARBENE ADDITION TO OLEFINS - AN EXPERIMENTAL AND THEORETICAL INVESTIGATION [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (14) : 4781 - 4792

[2] AN ANALYSIS OF PREDICTIONS BY THE SEMIEMPIRICAL MNDO MOLECULAR-ORBITAL METHOD FOR SOME ASPECTS OF MOLECULAR ENERGETICS [J]. CHEMICAL PHYSICS LETTERS, 1986, 128 (01) : 31 - 37

[3] FREE-ENERGY PERTURBATION METHOD FOR CHEMICAL-REACTIONS IN THE CONDENSED PHASE - A DYNAMICAL-APPROACH BASED ON A COMBINED QUANTUM AND MOLECULAR MECHANICS POTENTIAL [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1987, 109 (26) : 8092 - 8094

[4] THE MECHANISM OF DIRECTED 2ND LITHIATIONS - DETECTION OF SHORT PROTON-LITHIUM SEPARATIONS BY 6LI-1H HOESY [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1987, 109 (04) : 970 - 977

[5] BERNARDI F, 1987, ADV CHEM PHYS, V67, P155

[6] GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) : 1285 - 1293

[7] THERMODYNAMICAL PROPERTIES AND STRUCTURAL DATA OF RADICALS CALCULATED BY MNDO-UHF [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1982, 3 (04) : 486 - 494

[8] RADICAL IONS .55. THE ONE-ELECTRON OXIDATION OF TETRAHEDRANE TO CYCLOBUTADIENE RADICAL CATION [J]. CHEMISCHE BERICHTE-RECUEIL, 1984, 117 (01): : 172 - 186

[9] BREIDUNG J, IN PRESS

[10] APPROXIMATE MOLECULAR ORBITAL THEORY FOR INORGANIC MOLECULES .1. ANALYSIS OF POSSIBLE INTEGRAL APPROXIMATIONS [J]. THEORETICA CHIMICA ACTA, 1970, 16 (03): : 175 - +

[1] TRANSITION-STATE GEOMETRIES AND STEREOSELECTIVITY OF ALKYLIDENECARBENE ADDITION TO OLEFINS - AN EXPERIMENTAL AND THEORETICAL INVESTIGATION [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (14) : 4781 - 4792

[2] AN ANALYSIS OF PREDICTIONS BY THE SEMIEMPIRICAL MNDO MOLECULAR-ORBITAL METHOD FOR SOME ASPECTS OF MOLECULAR ENERGETICS [J]. CHEMICAL PHYSICS LETTERS, 1986, 128 (01) : 31 - 37

[3] FREE-ENERGY PERTURBATION METHOD FOR CHEMICAL-REACTIONS IN THE CONDENSED PHASE - A DYNAMICAL-APPROACH BASED ON A COMBINED QUANTUM AND MOLECULAR MECHANICS POTENTIAL [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1987, 109 (26) : 8092 - 8094

[4] THE MECHANISM OF DIRECTED 2ND LITHIATIONS - DETECTION OF SHORT PROTON-LITHIUM SEPARATIONS BY 6LI-1H HOESY [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1987, 109 (04) : 970 - 977

[5] BERNARDI F, 1987, ADV CHEM PHYS, V67, P155

[6] GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) : 1285 - 1293

[7] THERMODYNAMICAL PROPERTIES AND STRUCTURAL DATA OF RADICALS CALCULATED BY MNDO-UHF [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1982, 3 (04) : 486 - 494

[8] RADICAL IONS .55. THE ONE-ELECTRON OXIDATION OF TETRAHEDRANE TO CYCLOBUTADIENE RADICAL CATION [J]. CHEMISCHE BERICHTE-RECUEIL, 1984, 117 (01): : 172 - 186

[9] BREIDUNG J, IN PRESS

[10] APPROXIMATE MOLECULAR ORBITAL THEORY FOR INORGANIC MOLECULES .1. ANALYSIS OF POSSIBLE INTEGRAL APPROXIMATIONS [J]. THEORETICA CHIMICA ACTA, 1970, 16 (03): : 175 - +