| MNDO parameters for third period elements MJS Dewar, ML McKee, HS Rzepa Journal of the American Chemical Society 100 (11), 3607-3607, 1978 | 461 | 1978 |
| Ground states of molecules. 41. MNDO results for molecules containing boron MJS Dewar, ML McKee Journal of the American Chemical Society 99 (16), 5231-5241, 1977 | 263 | 1977 |
| Encyclopedia of computational chemistry P von Ragué Schleyer, NL Allinger, T Clark, J Gasteiger, P Kollman, ... J. Wiley & Sons, 1998 | 213* | 1998 |
| Ab Initio Study of the Hypercloso Boron Hydrides B n H n and B n H n-. Exceptional Stability of Neutral B13H13 ML McKee, ZX Wang, PR Schleyer Journal of the American Chemical Society 122 (19), 4781-4793, 2000 | 178 | 2000 |
| Ab initio study of rearrangements on the nitromethane potential energy surface ML McKee Journal of the American Chemical Society 108 (19), 5784-5792, 1986 | 151 | 1986 |
| Aspects of cyclic conjugation MJS Dewar, ML McKee Pure and Applied Chemistry 52 (6), 1431-1441, 1980 | 138 | 1980 |
| Calculations of band gaps in polyaniline from theoretical studies of oligomers O Kwon, ML McKee The Journal of Physical Chemistry B 104 (8), 1686-1694, 2000 | 136 | 2000 |
| S~~~~~ AL CALCULATIONS OF MOLECULAR VIBRATIONAL FREQUElNCIES: THE MNDO METHOD MJS Dewar, GP Ford, ML McKee Journal of Molecular Structure 43, 135-138, 1978 | 125 | 1978 |
| Theoretical Study of Tetramethyl- and Tetra-tert-butyl-Substituted Cyclobutadiene and Tetrahedrane M Balci, ML McKee, PR Schleyer The Journal of Physical Chemistry A 104 (6), 1246-1255, 2000 | 122 | 2000 |
| Ground states of molecules. 56. MNDO calculations for molecules containing sulfur MJS Dewar, ML McKee Journal of Computational Chemistry 4 (1), 84-103, 1983 | 122 | 1983 |
| Study of additivity of correlation and polarization effects in relative energies ML McKee, WN Lipscomb Journal of the American Chemical Society 103 (16), 4673-4676, 1981 | 119 | 1981 |
| Ab initio study of the N2O4 potential energy surface. Computational evidence for a new N2O4 isomer ML McKee Journal of the American Chemical Society 117 (5), 1629-1637, 1995 | 107 | 1995 |
| Computational study of addition and abstraction reactions between hydroxyl radical and dimethyl sulfide: a difficult case ML McKee The Journal of Physical Chemistry 97 (42), 10971-10976, 1993 | 106 | 1993 |
| Theoretical Study of OH and H2O Addition to SO2 WK Li, ML McKee The Journal of Physical Chemistry A 101 (50), 9778-9782, 1997 | 105 | 1997 |
| The Cope rearrangement. MINDO/3 studies of the rearrangements of 1, 5-hexadiene and bicyclo [2.2. 0] hexane MJS Dewar, GP Ford, ML McKee, HS Rzepa, LE Wade Journal of the American Chemical Society 99 (15), 5069-5073, 1977 | 104 | 1977 |
| The stabilities of N− Cl bonds in biocidal materials A Akdag, S Okur, ML McKee, SD Worley Journal of Chemical Theory and Computation 2 (3), 879-884, 2006 | 94 | 2006 |
| MCSCF study of the rearrangement of nitromethane to methyl nitrite ML McKee The Journal of Physical Chemistry 93 (21), 7365-7369, 1989 | 92 | 1989 |
| Reactions of 1, 3-cyclohexadiene with singlet oxygen. A theoretical study F Sevin, ML McKee Journal of the American Chemical Society 123 (19), 4591-4600, 2001 | 90 | 2001 |
| Computational Study of the Mono- and Dianions of SO2, SO3, SO4, S2O3, S2O4, S2O6, and S2O8 ML McKee The Journal of Physical Chemistry 100 (9), 3473-3481, 1996 | 89 | 1996 |
| Mechanistic Study of LiNH2BH3 Formation from (LiH)4 + NH3BH3 and Subsequent Dehydrogenation TB Lee, ML McKee Inorganic chemistry 48 (16), 7564-7575, 2009 | 84 | 2009 |
