Michael L. McKee

Overview

Best Publications

• MNDO parameters for third period elements

  Michael J. S. Dewar;Michael L. McKee;Henry S. Rzepa

  467
  Citations

• Theoretical investigation of the thermal ring opening of bicyclobutane to butadiene. Evidence for a nonsynchronous process

  Philip B. Shevlin;Michael L. McKee

  219
  Citations

• Ab initio study of rearrangements on the nitromethane potential energy surface.

  Michael L. McKee

  156
  Citations

• Aspects of cyclic conjugation

  M. J. S. Dewar;M. L. McKee

  145
  Citations

• Calculations of band gaps in polyaniline from theoretical studies of oligomers

  Ohyun Kwon and;Michael L. McKee

  143
  Citations

• SEMIEMPIRICAL CALCULATIONS OF MOLECULAR VIBRATIONAL FREQUENCIES: THE MNDO METHOD

  Michael J. S. Dewar;George P. Ford;Michael L. McKee;Henry S. Rzepa

  131
  Citations

• Theoretical Study of Tetramethyl- and Tetra-tert-butyl-Substituted Cyclobutadiene and Tetrahedrane

  Metin Balci;Michael L. McKee;Paul von Ragué Schleyer

  126
  Citations

• Study of additivity of correlation and polarization effects in relative energies

  Michael L. McKee;William N. Lipscomb

  120
  Citations

• Ab Initio Study of the N2O4 Potential Energy Surface. Computational Evidence for a New N2O4 Isomer

  Michael L. McKee

  112
  Citations

• Theoretical Study of OH and H2O Addition to SO2

  Wai-Kee Li;Michael L. McKee

  111
  Citations

• Computational study of addition and abstraction reactions between hydroxyl radical and dimethyl sulfide: a difficult case

  Michael L. McKee

  109
  Citations

• Ab initio study of the CO2 dimer and the CO2 ion complexes (CO2)2+ and (CO2)3+

  Andreas J. Illies;Michael L. McKee;H. Bernhard. Schlegel

  107
  Citations

• The Cope rearrangement. MINDO/3 studies of the rearrangements of 1,5-hexadiene and bicyclo[2.2.0]hexane

  Michael J. S. Dewar;George P. Ford;Michael L. McKee;Henry S. Rzepa

  106
  Citations

• The Stabilities of N-Cl Bonds in Biocidal Materials.

  Akin Akdag;Serife Okur;Michael L. McKee;S. D. Worley

  102
  Citations

• MCSCF study of the rearrangement of nitromethane to methyl nitrite

  Michael L. McKee

  101
  Citations

• A Definitive Investigation of the Gas-Phase Two-Center Three-Electron Bond in [H2S-SH2]+, [Me2S-SMe2]+, and [Et2S-SEt2]+: Theory and Experiment

  Ying Deng;Andreas J. Illies;Mary A. James;Michael L. McKee

  100
  Citations

• Computational Study of the Mono- and Dianions of SO2, SO3, SO4, S2O3, S2O4, S2O6, and S2O8

  Michael L. McKee

  95
  Citations

• Density Functional Study of Neutral and Charged Silver Clusters Agn with n = 2–22. Evolution of Properties and Structure

  Michael L. McKee;Alexander Samokhvalov

  95
  Citations

• Mechanistic Study of LiNH2BH3 Formation from (LiH)4 + NH3BH3 and Subsequent Dehydrogenation

  Tae Bum Lee;Michael L. McKee

  92
  Citations

• Reactions of 1,3-cyclohexadiene with singlet oxygen. A theoretical study.

  and Fatma Sevin;Michael L. McKee

  91
  Citations

• Theoretical Calculations of Band Gaps in the Aromatic Structures of Polythieno[3,4-b]benzene and Polythieno[3,4-b]pyrazine

  Ohyun Kwon;Michael L. McKee

  87
  Citations