Harding LB - Search Results

1

Ab initio methods for reactive potential surfaces.

Harding LB, Klippenstein SJ, Jasper AW. Harding LB, et al. Phys Chem Chem Phys. 2007 Aug 21;9(31):4055-70. doi: 10.1039/b705390h. Epub 2007 Jun 6. Phys Chem Chem Phys. 2007. PMID: 17687458

2

Predictive theory for the combination kinetics of two alkyl radicals.

Klippenstein SJ, Georgievskii Y, Harding LB. Klippenstein SJ, et al. Among authors: harding lb. Phys Chem Chem Phys. 2006 Mar 14;8(10):1133-47. doi: 10.1039/b515914h. Epub 2006 Feb 1. Phys Chem Chem Phys. 2006. PMID: 16633594

3

Predictive theory for hydrogen atom-hydrocarbon radical association kinetics.

Harding LB, Georgievskii Y, Klippenstein SJ. Harding LB, et al. J Phys Chem A. 2005 Jun 2;109(21):4646-56. doi: 10.1021/jp0508608. J Phys Chem A. 2005. PMID: 16833805

4

Kinetics of the reaction of methyl radical with hydroxyl radical and methanol decomposition.

Jasper AW, Klippenstein SJ, Harding LB, Ruscic B. Jasper AW, et al. Among authors: harding lb. J Phys Chem A. 2007 May 17;111(19):3932-50. doi: 10.1021/jp067585p. Epub 2007 Mar 16. J Phys Chem A. 2007. PMID: 17388366

5

On the combination reactions of hydrogen atoms with resonance-stabilized hydrocarbon radicals.

Harding LB, Klippenstein SJ, Georgievskii Y. Harding LB, et al. J Phys Chem A. 2007 May 17;111(19):3789-801. doi: 10.1021/jp0682309. Epub 2007 Mar 21. J Phys Chem A. 2007. PMID: 17388384

6

Kinetics of CH + N2 revisited with multireference methods.

Harding LB, Klippenstein SJ, Miller JA. Harding LB, et al. J Phys Chem A. 2008 Jan 24;112(3):522-32. doi: 10.1021/jp077526r. Epub 2008 Jan 3. J Phys Chem A. 2008. PMID: 18171038

7

Statistical theory for the kinetics and dynamics of roaming reactions.

Klippenstein SJ, Georgievskii Y, Harding LB. Klippenstein SJ, et al. Among authors: harding lb. J Phys Chem A. 2011 Dec 22;115(50):14370-81. doi: 10.1021/jp208347j. Epub 2011 Nov 28. J Phys Chem A. 2011. PMID: 22029474

8

Ab Initio Computations and Active Thermochemical Tables Hand in Hand: Heats of Formation of Core Combustion Species.

Klippenstein SJ, Harding LB, Ruscic B. Klippenstein SJ, et al. Among authors: harding lb. J Phys Chem A. 2017 Sep 7;121(35):6580-6602. doi: 10.1021/acs.jpca.7b05945. Epub 2017 Aug 28. J Phys Chem A. 2017. PMID: 28758403

9

Thermal decomposition of NH2OH and subsequent reactions: ab initio transition state theory and reflected shock tube experiments.

Klippenstein SJ, Harding LB, Ruscic B, Sivaramakrishnan R, Srinivasan NK, Su MC, Michael JV. Klippenstein SJ, et al. Among authors: harding lb. J Phys Chem A. 2009 Sep 24;113(38):10241-59. doi: 10.1021/jp905454k. J Phys Chem A. 2009. PMID: 19722533

10

Shock tube and theoretical studies on the thermal decomposition of propane: evidence for a roaming radical channel.

Sivaramakrishnan R, Su MC, Michael JV, Klippenstein SJ, Harding LB, Ruscic B. Sivaramakrishnan R, et al. Among authors: harding lb. J Phys Chem A. 2011 Apr 21;115(15):3366-79. doi: 10.1021/jp2006205. Epub 2011 Mar 29. J Phys Chem A. 2011. PMID: 21446707

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