Magers D - Search Results

1

Structure and reactivity of TNT and related species: application of spectroscopic approaches and quantum-chemical approximations toward understanding transformation mechanisms.

Qasim M, Gorb L, Magers D, Honea P, Leszczynski J, Moore B, Taylor L, Middleton M. Qasim M, et al. Among authors: magers d. J Hazard Mater. 2009 Aug 15;167(1-3):154-63. doi: 10.1016/j.jhazmat.2008.12.105. Epub 2008 Dec 30. J Hazard Mater. 2009. PMID: 19200649

2

Application of quantum-chemical approximations to environmental problems: Prediction of physical and chemical properties of TNT and related species.

Qasim M, Kholod Y, Gorb L, Magers D, Honea P, Leszczynski J. Qasim M, et al. Among authors: magers d. Chemosphere. 2007 Oct;69(7):1144-50. doi: 10.1016/j.chemosphere.2007.03.067. Epub 2007 May 23. Chemosphere. 2007. PMID: 17512030

3

Theoretical study of the pre- and post-translational effects of adenine and thymine tautomers and methyl derivatives.

Gardner N, Magers D, Hill G Jr. Gardner N, et al. Among authors: magers d. J Mol Model. 2013 Sep;19(9):3543-9. doi: 10.1007/s00894-013-1833-9. Epub 2013 May 31. J Mol Model. 2013. PMID: 23722555

4

Conventional strain energies of azetidine and phosphetane: can density functional theory yield reliable results?

Smith SA, Hand KE, Love ML, Hill G, Magers DH. Smith SA, et al. Among authors: magers dh. J Comput Chem. 2013 Mar 15;34(7):558-65. doi: 10.1002/jcc.23165. Epub 2012 Oct 29. J Comput Chem. 2013. PMID: 23108674

5

Noncovalent Interactions between Trimethylamine N-Oxide (TMAO), Urea, and Water.

Zetterholm SG, Verville GA, Boutwell L, Boland C, Prather JC, Bethea J, Cauley J, Warren KE, Smith SA, Magers DH, Hammer NI. Zetterholm SG, et al. Among authors: magers dh. J Phys Chem B. 2018 Sep 27;122(38):8805-8811. doi: 10.1021/acs.jpcb.8b04388. Epub 2018 Sep 12. J Phys Chem B. 2018. PMID: 30165021

6

Conventional strain energy in dimethyl-substituted cyclobutane and the gem-dimethyl effect.

Ringer AL, Magers DH. Ringer AL, et al. J Org Chem. 2007 Mar 30;72(7):2533-7. doi: 10.1021/jo0624647. Epub 2007 Mar 7. J Org Chem. 2007. PMID: 17341119

7

Stability and thermal rearrangement of (E,E)-1,3-cycloheptadiene and trans-bicyclo[3.2.0]hept-6-ene.

Qin C, Davis SR, Zhao Z, Magers DH. Qin C, et al. J Phys Chem A. 2006 Feb 9;110(5):2034-8. doi: 10.1021/jp054885i. J Phys Chem A. 2006. PMID: 16451039

8

Noncovalent interactions in microsolvated networks of trimethylamine N-oxide.

Cuellar KA, Munroe KL, Magers DH, Hammer NI. Cuellar KA, et al. Among authors: magers dh. J Phys Chem B. 2014 Jan 16;118(2):449-59. doi: 10.1021/jp408659n. Epub 2013 Dec 31. J Phys Chem B. 2014. PMID: 24350663

9

Raman spectroscopic signatures of noncovalent interactions between trimethylamine N-oxide (TMAO) and water.

Munroe KL, Magers DH, Hammer NI. Munroe KL, et al. Among authors: magers dh. J Phys Chem B. 2011 Jun 16;115(23):7699-707. doi: 10.1021/jp203840w. Epub 2011 May 20. J Phys Chem B. 2011. PMID: 21598992

10

Benzvalyne: Real or imaginary?

Poland KN, Westbrook BR, Magers DH, Fortenberry RC, Davis SR. Poland KN, et al. Among authors: magers dh. J Chem Phys. 2022 Jan 14;156(2):024302. doi: 10.1063/5.0077033. J Chem Phys. 2022. PMID: 35032974

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