Jasper AW - Search Results

1

Pressure-dependent rate constants for PAH growth: formation of indene and its conversion to naphthalene.

Mebel AM, Georgievskii Y, Jasper AW, Klippenstein SJ. Mebel AM, et al. Among authors: jasper aw. Faraday Discuss. 2016 Dec 22;195:637-670. doi: 10.1039/c6fd00111d. Faraday Discuss. 2016. PMID: 27711836

2

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. 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

3

Ab initio methods for reactive potential surfaces.

Harding LB, Klippenstein SJ, Jasper AW. Harding LB, et al. Among authors: jasper aw. 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

4

Secondary kinetics of methanol decomposition: theoretical rate coefficients for 3CH2 + OH, 3CH2 + 3CH2, and 3CH2 + CH3.

Jasper AW, Klippenstein SJ, Harding LB. Jasper AW, et al. J Phys Chem A. 2007 Sep 6;111(35):8699-707. doi: 10.1021/jp0736950. Epub 2007 Aug 15. J Phys Chem A. 2007. PMID: 17696414

5

Thermal decomposition of CF3 and the reaction of CF2 + OH --> CF2O + H.

Srinivasan NK, Su MC, Michael JV, Jasper AW, Klippenstein SJ, Harding LB. Srinivasan NK, et al. Among authors: jasper aw. J Phys Chem A. 2008 Jan 10;112(1):31-7. doi: 10.1021/jp076344u. Epub 2007 Dec 7. J Phys Chem A. 2008. PMID: 18062678

6

The effect of spin-orbit splitting on the association kinetics of barrierless halogen atom-hydrocarbon radical reactions.

Jasper AW, Klippenstein SJ, Harding LB. Jasper AW, et al. J Phys Chem A. 2010 May 13;114(18):5759-68. doi: 10.1021/jp1015092. J Phys Chem A. 2010. PMID: 20392102

7

Separability of tight and roaming pathways to molecular decomposition.

Harding LB, Klippenstein SJ, Jasper AW. Harding LB, et al. Among authors: jasper aw. J Phys Chem A. 2012 Jul 5;116(26):6967-82. doi: 10.1021/jp303581k. Epub 2012 Jun 20. J Phys Chem A. 2012. PMID: 22671970

8

Collision efficiency of water in the unimolecular reaction CH4 (+H2O) ⇆ CH3 + H (+H2O): one-dimensional and two-dimensional solutions of the low-pressure-limit master equation.

Jasper AW, Miller JA, Klippenstein SJ. Jasper AW, et al. J Phys Chem A. 2013 Nov 27;117(47):12243-55. doi: 10.1021/jp409086w. Epub 2013 Nov 7. J Phys Chem A. 2013. PMID: 24144294

9

First-principles binary diffusion coefficients for H, H₂, and four normal alkanes + N₂.

Jasper AW, Kamarchik E, Miller JA, Klippenstein SJ. Jasper AW, et al. J Chem Phys. 2014 Sep 28;141(12):124313. doi: 10.1063/1.4896368. J Chem Phys. 2014. PMID: 25273443

10

Predictive a priori pressure-dependent kinetics.

Jasper AW, Pelzer KM, Miller JA, Kamarchik E, Harding LB, Klippenstein SJ. Jasper AW, et al. Science. 2014 Dec 5;346(6214):1212-5. doi: 10.1126/science.1260856. Science. 2014. PMID: 25477457

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