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David H. Magers, Ph.D. - Publications

Affiliations: 
Chemistry and Biochemistry Mississippi College, Clinton, MS, United States 
Area:
Computational Chemistry, Physical Chemistry
Website:
http://www.mc.edu/faculty/magers
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21 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2022 Poland KN, Westbrook BR, Magers DH, Fortenberry RC, Davis SR. Benzvalyne: Real or imaginary? The Journal of Chemical Physics. 156: 024302. PMID 35032974 DOI: 10.1063/5.0077033  0.565
2018 Magers DB, Magers AK, Magers DH. The s ‐homodesmotic method for the computation of conventional strain energies of bicyclic systems and individual rings within these systems International Journal of Quantum Chemistry. 119: e25864. DOI: 10.1002/Qua.25864  0.672
2013 Gardner N, Magers D, Hill G. Theoretical study of the pre- and post-translational effects of adenine and thymine tautomers and methyl derivatives Journal of Molecular Modeling. 19: 3543-3549. PMID 23722555 DOI: 10.1007/s00894-013-1833-9  0.691
2013 Smith SA, Hand KE, Love ML, Hill G, Magers DH. Conventional strain energies of azetidine and phosphetane: can density functional theory yield reliable results? Journal of Computational Chemistry. 34: 558-65. PMID 23108674 DOI: 10.1002/jcc.23165  0.308
2009 Qasim M, Gorb L, Magers D, Honea P, Leszczynski J, Moore B, Taylor L, Middleton M. Structure and reactivity of TNT and related species: Application of spectroscopic approaches and quantum-chemical approximations toward understanding transformation mechanisms Journal of Hazardous Materials. 167: 154-163. PMID 19200649 DOI: 10.1016/J.Jhazmat.2008.12.105  0.689
2007 Qasim M, Kholod Y, Gorb L, Magers D, Honea P, Leszczynski J. Application of quantum-chemical approximations to environmental problems: Prediction of physical and chemical properties of TNT and related species Chemosphere. 69: 1144-1150. PMID 17512030 DOI: 10.1016/J.Chemosphere.2007.03.067  0.693
2007 Ringer AL, Magers DH. Conventional strain energy in dimethyl-substituted cyclobutane and the gem-dimethyl effect. The Journal of Organic Chemistry. 72: 2533-7. PMID 17341119 DOI: 10.1021/jo0624647  0.33
2007 Wei H, Lee TY, Miao W, Fortenberry R, Magers DH, Hait S, Guymon AC, Jönsson SE, Hoyle CE. Characterization and photopolymerization of divinyl fumarate Macromolecules. 40: 6172-6180. DOI: 10.1021/Ma070344A  0.515
1999 Magers DH, Davis SR. Ring strain in the oxazetidines Journal of Molecular Structure: Theochem. 487: 205-210. DOI: 10.1016/S0166-1280(99)00155-4  0.307
1998 Boone AJ, Magers DH, Leszczyński J. Searches on the potential energy hypersurfaces of GeCH2, GeSiF2, and Ge2H2 International Journal of Quantum Chemistry. 70: 909-917. DOI: 10.1002/(Sici)1097-461X(1998)70:4/5<925::Aid-Qua38>3.0.Co;2-X  0.317
1991 Lipscomb WN, Stanton JF, Connick WB, Magers DH. The role of theory in studies of the diborane pyrolysis sequence Pure and Applied Chemistry. 63: 335-338. DOI: 10.1351/Pac199163030335  0.59
1991 Magers DH, Lipscomb WN, Bartlett RJ, Stanton JF. The equilibrium structure and harmonic vibrational frequencies of ozone: Coupled cluster results including triple excitations The Journal of Chemical Physics. 96: 1945-1947. DOI: 10.1063/1.457053  0.651
1989 Magers DH, Lipscomb WN, Bartlett RJ, Stanton JF. The equilibrium structure and harmonic vibrational frequencies of ozone: Coupled cluster results including triple excitations The Journal of Chemical Physics. 91: 1945-1947. DOI: 10.1063/1.457053  0.387
1989 Stanton JF, Lipscomb WN, Magers DH, Bartlett RJ. 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 The Journal of Chemical Physics. 90: 1077-1082. DOI: 10.1063/1.456161  0.663
1989 Stanton JF, Lipscomb WN, Magers DH, Bartlett RJ. 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 The Journal of Chemical Physics. 90: 1077-1082. DOI: 10.1063/1.456161  0.389
1989 Stanton JF, Lipscomb WN, Magers DH, Bartlett RJ. Correlated studies of infrared intensities The Journal of Chemical Physics. 90: 3241-3249. DOI: 10.1063/1.455876  0.656
1989 Stanton JF, Bartlett RJ, Magers DH, Lipscomb WN. Highly correlated single reference studies of the O3 potential surface. Dissociation and atomization energies Chemical Physics Letters. 163: 333-338. DOI: 10.1016/0009-2614(89)85145-0  0.667
1988 Bernholdt DE, Magers DH, Bartlett RJ. Stability and properties of C4 isomers Journal of Chemical Physics. 89: 3612-3617. DOI: 10.1063/1.454881  0.542
1988 Stanton JF, Magers DH. Computation of quadratic electric dipole moment functions Journal of Chemical Physics. 88: 7650-7652. DOI: 10.1063/1.454278  0.536
1988 Magers DH, Salter EA, Bartlett RJ, Salter C, Hess BA, Schaad LJ. Do stable isomers of N3H3 exist Journal of the American Chemical Society. 110: 3435-3446. DOI: 10.1021/Ja00219A016  0.423
1986 Magers DH, Harrison RJ, Bartlett RJ. Isomers and excitation energies of C4 The Journal of Chemical Physics. 84: 3284-3290. DOI: 10.1063/1.450259  0.549
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