(26) “Structure and Reactivity of TNT and Related Species: Application of Quantum-Chemical Approximations to Environment Associated Problems”, Mohammad Qasim, Leonid Gorb, David Magers, Patricia Honea, Jerzy Leszczynski, Brett Moore and Lyssa Taylor; Journal of Molecular Structure, submitted.
(25) “Comparison of Small Molecule and Polymeric Urethanes, Thiourethanes, and Dithiourethanes: Hydrogen Bonding and Thermal. Physical, and Mechanical Properties”, Qin Li, Hui Zhou, Douglas A. Wicks, Charles E. Hoyle, David H. Magers, and Harley R. McAlexander; Macmromolecules 42 (2009) 1824-1833. (24) “Characterization and Photopolymerization of Divinylfumarate: Monomer and Initiator”, Huanyu Wei, Tai Yeon Lee, Wujian Miao, Ryan Fortenberry, David H. Magers, Sukhendu Hait, Allan C. Guymon, E. Sonny Jönsson, and Charles E. Hoyle; Macromolecules 40 (2007) 6172-6180. (23) “Application of Quantum-chemical Approximations to Environmental Problems: Prediction of Physical and Chemical Properties of TNT and Related Species”, Mohammad Qasim, Yana Kholod, Leonid Gorb, David Magers, Patricia Honea, and Jerzy Leszczynski; Chemosphere 69 (2007) 1144-1150. (22) “Conventional Strain Energy in Dimethyl-substituted Cyclobutane and the Gem-Dimethyl Effect”, Ashley L. Ringer and David H. Magers; Journal of Organic Chemistry 72 (2007) 2533-2537. (21) “Computation of Gas-phase Enthalpies of Formation with Chemical Accuracy: The Curious Case of 3-nitroaniline”, Nathan J. DeYonker, Thomas R. Cundari, Angela K. Wilson, Chanchaldeep Amika Sood, and David H. Magers; Journal of Molecular Structure (Theochem) 775 (2006) 77-80. (20) “Reaction Enthalpies of Monomers Involved in Photopolymerization”, Todd M. Roper, Charles E. Hoyle, and David H. Magers; in Photochemistry and UV Curing: New Trends, ed. J.P. Fouassier, Research Signpost, Kelara, India (2006) 253-264. (19) “Stability and Thermal Rearrangement of (E,E)-1,3-Cycloheptadiene and trans-Bicyclo[3.2.0]hept-6-ene”, Changyong Qin, Steven R. Davis, Zhendong Zhao, and David H. Magers; Journal of Physical Chemistry A 110 (2006) 2034-2038; published on web January 7, 2006. (18) "Conventional Strain Energy in the Oxadiazetidines”; Christopher W. Benton and David H. Magers; International Journal of Quantum Chemistry 100 (2004) 788. (17) “Computation of the Conventional Strain Energy in Oxaziridine”; Lydia Lee Lewis, Lee L. Turner, Edward A. Salter, and David H. Magers; Journal of Molecular Structure (Theochem) 592 (2002) 161-171. (16) “Singlet Nitric Oxide Dimer Revisited: An Unexpected High Stability Isomer”, David H. Magers, Huang Qiong, and Jerzy Leszczynski; Structural Chemistry 13 (2002) 165-172. (15) "Ring Strain in the Oxazetidines", David H. Magers and Steven R. Davis; Journal of Molecular Structure (Theochem) 487 (1999) 205-210. (14) "Interring Torsions in N-Phenylmaleimide and Its o-Halo Derivatives, an Experimental and Computational Study", Christopher W. Miller, Charles E. Hoyle, Edward J. Valente, David H. Magers, and E. Sonny Jönsson; Journal of Physical Chemistry A 103 (1999) 6406-6412. (13) "Searches on the Potential Energy Hypersurfaces of GeCH2, GeSiH2, and Ge2H2", Amy J. Boone, David H. Magers, and Jerzy Leszczyski; International Journal of Quantum Chemistry, Quantum Chemistry Symposium 32 (1998) 925-932. (12) "Ab Initio Studies of Methylenecarbene and Isoelectronic Species", Hallie K. Brody, David H. Magers, and Jerzy Leszczyski, Structural Chemistry 6 (1995) 293-300. (11) "Diborane, Dialane, and Digallane: Accurate Geometries and Vibrational Frequencies", David H. Magers, R. Bryan Hood, and Jerzy Leszczyski, International Journal of Quantum Chemistry: Quantum Chemistry Symposium 28 (1994) 579-594. (10) “The Role of Theory in Studies of the Diborane Pyrolysis Sequence”, William N. Lipscomb, John F. Stanton, W.B. Connick, and David H. Magers, Pure and Applied Chemistry 63 (1991) 335. (9) “Highly Correlated Single-Reference Studies of the O3 Potential Surface, Dissociation and Atomization Energies”, John F. Stanton, Rodney J. Bartlett, David H. Magers, and William N. Lipscomb, Chemical Physics Letters 163 (1989) 333. (8) “The Equilibrium Structure and Harmonic Vibrational Frequencies of Ozone: Coupled-Cluster Results Including Triple Excitations”, David H. Magers, William N. Lipscomb, Rodney J. Bartlett, and John F. Stanton, Journal of Chemical Physics 91 (1989) 1945. (7) “Correlated Studies of Infrared Intensities”, John F. Stanton, William N. Lipscomb, David H. Magers, and Rodney J. Bartlett, Journal of Chemical Physics 90 (1989) 3241. (6) “Highly Correlated Single-Reference Studies of the O3 Potential Surface. I. Effects of High Order Excitations on the Equilibrium Structure and Harmonic Force Field of Ozone”, John F. Stanton, William N. Lipscomb, David H. Magers, and Rodney J. Bartlett, Journal of Chemical Physics 90 (1989) 1077. (5) “Stability and Properties of C4 Isomers”, David E. Bernholdt, David H. Magers, Rodney J. Bartlett, Journal of Chemical Physics 89 (1988) 3612. (4) “Computation of Electric Dipole Moment Functions”, John F. Stanton and David H. Magers, Journal of Chemical Physics 88 (1988) 7650. (3) “Do Stable Isomers of N3H3 Exist?”, David H. Magers, Edward A. Salter, Rodney J. Bartlett, Carl Salter, B.A. Hess, and L.J. Schaad, Journal of the American Chemical Society 110 (1988) 3435. (2) “Kinetics and Theoretical Treatment of Primary Radical Displacement at Sulfur”, James A. Franz, Kim F. Ferris, David H. Roberts, Rodney J. Bartlett, and David H. Magers, in Proc. Intl. Conf. Coal Science, Maastricht, Netherlands, Oct. 26-30, 1987, Elsevier Publ. Amsterdam. (1) “Isomers and Excitation Energies of C4”, David H. Magers, Robert J. Harrison, and Rodney J. Bartlett, Journal of Chemical Physics 84 (1986) 3284. Back to Home