A THEORETICAL MNDO AND AM1 SCF-MO STUDY OF DIHYDROGEN ELIMINATION-REACTIONS

[1] DIHYDROGEN TRANSFER-REACTIONS - AN SCF-MO STUDY OF THE RELATIVE ENERGIES OF THE CONCERTED AND STEPWISE PATHWAYS [J]. JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1987, (12) : 902 - 904

[2] AGRAFIOTIS DK, IN PRESS J CHEM S P2

[3] SOME MNDO SCF-MO COMPUTATIONS ON PROTON-TRANSFER SYSTEMS [J]. ACTA CHEMICA SCANDINAVICA SERIES A-PHYSICAL AND INORGANIC CHEMISTRY, 1983, 37 (10): : 843 - 851

[4] Bell R.P., 1980, TUNNEL EFFECT CHEM, DOI DOI 10.1007/978-1-4899-2891-7

[5] KINETICS AND MECHANISM OF PYROLYSIS OF 1,4-CYCLOHEXADIENE [J]. TRANSACTIONS OF THE FARADAY SOCIETY, 1967, 63 (532P): : 985 - &

[6] GROUND-STATES OF MOLECULES .51. MNDO (MODIFIED NEGLECT OF DIATOMIC OVERLAP) CALCULATIONS OF KINETIC ISOTOPE EFFECTS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (25) : 7832 - 7836

[7] GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) : 4899 - 4907

[8] THE DEVELOPMENT AND USE OF QUANTUM-MECHANICAL MOLECULAR-MODELS .76. AM1 - A NEW GENERAL-PURPOSE QUANTUM-MECHANICAL MOLECULAR-MODEL [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (13) : 3902 - 3909

[9] SEMIEMPIRICAL MODEL FOR 2-CENTER REPULSION INTEGRALS IN NDDO APPROXIMATION [J]. THEORETICA CHIMICA ACTA, 1977, 46 (02): : 89 - 104

[10] DEWAR MJS, QCPE506 PROGR

[1] DIHYDROGEN TRANSFER-REACTIONS - AN SCF-MO STUDY OF THE RELATIVE ENERGIES OF THE CONCERTED AND STEPWISE PATHWAYS [J]. JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1987, (12) : 902 - 904

[2] AGRAFIOTIS DK, IN PRESS J CHEM S P2

[3] SOME MNDO SCF-MO COMPUTATIONS ON PROTON-TRANSFER SYSTEMS [J]. ACTA CHEMICA SCANDINAVICA SERIES A-PHYSICAL AND INORGANIC CHEMISTRY, 1983, 37 (10): : 843 - 851

[4] Bell R.P., 1980, TUNNEL EFFECT CHEM, DOI DOI 10.1007/978-1-4899-2891-7

[5] KINETICS AND MECHANISM OF PYROLYSIS OF 1,4-CYCLOHEXADIENE [J]. TRANSACTIONS OF THE FARADAY SOCIETY, 1967, 63 (532P): : 985 - &

[6] GROUND-STATES OF MOLECULES .51. MNDO (MODIFIED NEGLECT OF DIATOMIC OVERLAP) CALCULATIONS OF KINETIC ISOTOPE EFFECTS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (25) : 7832 - 7836

[7] GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) : 4899 - 4907

[8] THE DEVELOPMENT AND USE OF QUANTUM-MECHANICAL MOLECULAR-MODELS .76. AM1 - A NEW GENERAL-PURPOSE QUANTUM-MECHANICAL MOLECULAR-MODEL [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (13) : 3902 - 3909

[9] SEMIEMPIRICAL MODEL FOR 2-CENTER REPULSION INTEGRALS IN NDDO APPROXIMATION [J]. THEORETICA CHIMICA ACTA, 1977, 46 (02): : 89 - 104

[10] DEWAR MJS, QCPE506 PROGR