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Michael  McKee
Michael McKee
Email confirmado em auburn.edu
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Encyclopedia of computational chemistry
WL Hase
Wiley, New York 1, 399-402, 1998
1813*1998
MNDO parameters for third period elements
MJS Dewar, ML McKee, HS Rzepa
Journal of the American Chemical Society 100 (11), 3607-3607, 1978
4631978
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
2641977
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
1902000
Ab initio study of rearrangements on the nitromethane potential energy surface
ML McKee
Journal of the American Chemical Society 108 (19), 5784-5792, 1986
1531986
Aspects of cyclic conjugation
MJS Dewar, ML McKee
Pure and Applied Chemistry 52 (6), 1431-1441, 1980
1401980
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
1392000
S~~~~~ AL CALCULATIONS OF MOLECULAR VIBRATIONAL FREQUElNCIES: THE MNDO METHOD
MJS Dewar, GP Ford, ML McKee
Journal of Molecular Structure 43, 135-138, 1978
1281978
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
1242000
Ground states of molecules. 56. MNDO calculations for molecules containing sulfur
MJS Dewar, ML McKee
Journal of Computational Chemistry 4 (1), 84-103, 1983
1191983
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
1191981
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
1121995
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
1091993
Theoretical Study of OH and H2O Addition to SO2
WK Li, ML McKee
The Journal of Physical Chemistry A 101 (50), 9778-9782, 1997
1081997
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
1001977
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
972006
MCSCF study of the rearrangement of nitromethane to methyl nitrite
ML McKee
The Journal of Physical Chemistry 93 (21), 7365-7369, 1989
941989
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
912001
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
901996
Mechanistic Study of LiNH2BH3 Formation from (LiH)4 + NH3BH3 and Subsequent Dehydrogenation
TB Lee, ML McKee
Inorganic chemistry 48 (16), 7564-7575, 2009
872009
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