SOME MNDO SCF-MO COMPUTATIONS ON PROTON-TRANSFER SYSTEMS

[1] MINDO-3 CALCULATIONS OF KINETIC ISOTOPE EFFECTS IN HETEROLYSIS OF NEOPENTYL ALCOHOL [J]. BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1981, 54 (11) : 3613 - 3614

[2] Bell R. P., 1980, TUNNEL EFFECT CHEM

[3] MODEL CALCULATIONS OF ISOTOPE EFFECTS IN PROTON TRANSFER REACTIONS [J]. TRANSACTIONS OF THE FARADAY SOCIETY, 1971, 67 (583): : 1995 - &

[4] 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

[5] THERMAL DECARBOXYLATION OF BUT-3-ENOIC ACID - MINDO-3 CALCULATIONS OF ACTIVATION PARAMETERS AND PRIMARY KINETIC ISOTOPE EFFECTS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (25) : 8343 - 8344

[6] GROUND-STATES OF MOLECULES .39. MNDO RESULTS FOR MOLECULES CONTAINING HYDROGEN, CARBON, NITROGEN, AND OXYGEN [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) : 4907 - 4917

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

[8] CALCULATIONS OF ELECTRON-AFFINITIES USING MNDO SEMI-EMPIRICAL SCF-MO METHOD [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (03) : 784 - 790

[9] ADDENDUM TO A RECENT PAPER BY HALGREN, LIPSCOMB, AND THEIR CO-WORKERS CONCERNING THE RELATIVE ACCURACIES OF SEVERAL CURRENT MO METHODS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (19) : 5558 - 5561

[10] SEMI-EMPIRICAL CALCULATIONS OF MOLECULAR VIBRATIONAL FREQUENCIES - MNDO METHOD [J]. JOURNAL OF MOLECULAR STRUCTURE, 1978, 43 (01) : 135 - 138

[1] MINDO-3 CALCULATIONS OF KINETIC ISOTOPE EFFECTS IN HETEROLYSIS OF NEOPENTYL ALCOHOL [J]. BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1981, 54 (11) : 3613 - 3614

[2] Bell R. P., 1980, TUNNEL EFFECT CHEM

[3] MODEL CALCULATIONS OF ISOTOPE EFFECTS IN PROTON TRANSFER REACTIONS [J]. TRANSACTIONS OF THE FARADAY SOCIETY, 1971, 67 (583): : 1995 - &

[4] 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

[5] THERMAL DECARBOXYLATION OF BUT-3-ENOIC ACID - MINDO-3 CALCULATIONS OF ACTIVATION PARAMETERS AND PRIMARY KINETIC ISOTOPE EFFECTS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (25) : 8343 - 8344

[6] GROUND-STATES OF MOLECULES .39. MNDO RESULTS FOR MOLECULES CONTAINING HYDROGEN, CARBON, NITROGEN, AND OXYGEN [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) : 4907 - 4917

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

[8] CALCULATIONS OF ELECTRON-AFFINITIES USING MNDO SEMI-EMPIRICAL SCF-MO METHOD [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (03) : 784 - 790

[9] ADDENDUM TO A RECENT PAPER BY HALGREN, LIPSCOMB, AND THEIR CO-WORKERS CONCERNING THE RELATIVE ACCURACIES OF SEVERAL CURRENT MO METHODS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (19) : 5558 - 5561

[10] SEMI-EMPIRICAL CALCULATIONS OF MOLECULAR VIBRATIONAL FREQUENCIES - MNDO METHOD [J]. JOURNAL OF MOLECULAR STRUCTURE, 1978, 43 (01) : 135 - 138