Harding M - Search Results

1

Derivatives of imidazotriazine and pyrrolotriazine C-nucleosides as potential new anti-HCV agents.

Draffan AG, Frey B, Fraser BH, Pool B, Gannon C, Tyndall EM, Cianci J, Harding M, Lilly M, Hufton R, Halim R, Jahangiri S, Bond S, Jeynes TP, Nguyen VT, Wirth V, Luttick A, Tilmanis D, Pryor M, Porter K, Morton CJ, Lin B, Duan J, Bethell RC, Kukolj G, Simoneau B, Tucker SP. Draffan AG, et al. Among authors: harding m. Bioorg Med Chem Lett. 2014 Nov 1;24(21):4984-8. doi: 10.1016/j.bmcl.2014.09.030. Epub 2014 Sep 21. Bioorg Med Chem Lett. 2014. PMID: 25288185

2

Tunneling in a simple bond scission: the surprising Barrier in the H loss from HCOOH(+).

Shuman NS, Johnson M, Stevens WR, Harding ME, Stanton JF, Baer T. Shuman NS, et al. Among authors: harding me. J Phys Chem A. 2010 Sep 23;114(37):10016-23. doi: 10.1021/jp105724j. J Phys Chem A. 2010. PMID: 20738134

3

High-accuracy extrapolated ab initio thermochemistry of the propargyl radical and the singlet C(3)H(2) carbenes.

Vázquez J, Harding ME, Gauss J, Stanton JF. Vázquez J, et al. J Phys Chem A. 2009 Nov 12;113(45):12447-53. doi: 10.1021/jp9029908. J Phys Chem A. 2009. PMID: 19583197

4

Dissociation energy of the HOOO radical.

Varner ME, Harding ME, Vázquez J, Gauss J, Stanton JF. Varner ME, et al. J Phys Chem A. 2009 Oct 22;113(42):11238-41. doi: 10.1021/jp907262s. J Phys Chem A. 2009. PMID: 19785472

5

High-accuracy extrapolated ab initio thermochemistry of the vinyl, allyl, and vinoxy radicals.

Tabor DP, Harding ME, Ichino T, Stanton JF. Tabor DP, et al. J Phys Chem A. 2012 Jul 26;116(29):7668-76. doi: 10.1021/jp302527n. Epub 2012 Jul 12. J Phys Chem A. 2012. PMID: 22784201

6

Towards highly accurate ab initio thermochemistry of larger systems: benzene.

Harding ME, Vázquez J, Gauss J, Stanton JF, Kállay M. Harding ME, et al. J Chem Phys. 2011 Jul 28;135(4):044513. doi: 10.1063/1.3609250. J Chem Phys. 2011. PMID: 21806144

7

Electron affinities, well depths, and vibrational spectroscopy of cis- and trans-HOCO.

Johnson CJ, Harding ME, Poad BL, Stanton JF, Continetti RE. Johnson CJ, et al. J Am Chem Soc. 2011 Dec 14;133(49):19606-9. doi: 10.1021/ja207724f. Epub 2011 Nov 15. J Am Chem Soc. 2011. PMID: 22053945

8

Vibrational Energy Levels via Finite-Basis Calculations Using a Quasi-Analytic Form of the Kinetic Energy.

Vázquez J, Harding ME, Stanton JF, Gauss J. Vázquez J, et al. J Chem Theory Comput. 2011 May 10;7(5):1428-42. doi: 10.1021/ct100711u. Epub 2011 Apr 22. J Chem Theory Comput. 2011. PMID: 26610133

9

High-accuracy extrapolated ab initio thermochemistry. III. Additional improvements and overview.

Harding ME, Vázquez J, Ruscic B, Wilson AK, Gauss J, Stanton JF. Harding ME, et al. J Chem Phys. 2008 Mar 21;128(11):114111. doi: 10.1063/1.2835612. J Chem Phys. 2008. PMID: 18361558

10

Coupled-cluster techniques for computational chemistry: The CFOUR program package.

Matthews DA, Cheng L, Harding ME, Lipparini F, Stopkowicz S, Jagau TC, Szalay PG, Gauss J, Stanton JF. Matthews DA, et al. J Chem Phys. 2020 Jun 7;152(21):214108. doi: 10.1063/5.0004837. J Chem Phys. 2020. PMID: 32505146

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