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Page 1
The master equation: general discussion.
Aerssens J, Burke MP, Cavallotti C, Green NJB, Green WH, Guo H, Heard D, Hochlaf M, Jasper AW, Klippenstein SJ, Kuwata KT, Lawrence JE, Mebel AM, Mullin AS, Nguyen TL, Olzmann M, Osborn DL, Pfeifle M, Plane JMC, Robertson PA, Robertson SH, Salzburger M, Seakins PW, Shannon RJ, Shiels OJ, Trevitt AJ, Vallance C, Welz O, Xu X, Zádor J, Zhang RM. Aerssens J, et al. Among authors: jasper aw. Faraday Discuss. 2022 Oct 21;238(0):529-574. doi: 10.1039/d2fd90050e. Faraday Discuss. 2022. PMID: 36222351 No abstract available.
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
The reaction between propene and hydroxyl.
Zádor J, Jasper AW, Miller JA. Zádor J, et al. Among authors: jasper aw. Phys Chem Chem Phys. 2009 Dec 14;11(46):11040-53. doi: 10.1039/b915707g. Epub 2009 Oct 13. Phys Chem Chem Phys. 2009. PMID: 19924340
Kinetics of Propargyl Radical Dissociation.
Klippenstein SJ, Miller JA, Jasper AW. Klippenstein SJ, et al. Among authors: jasper aw. J Phys Chem A. 2015 Jul 16;119(28):7780-91. doi: 10.1021/acs.jpca.5b01127. Epub 2015 Apr 30. J Phys Chem A. 2015. PMID: 25871530
Comment on "When Rate Constants Are Not Enough".
Miller JA, Klippenstein SJ, Robertson SH, Pilling MJ, Shannon R, Zádor J, Jasper AW, Goldsmith CF, Burke MP. Miller JA, et al. Among authors: jasper aw. J Phys Chem A. 2016 Jan 21;120(2):306-12. doi: 10.1021/acs.jpca.5b06025. Epub 2016 Jan 7. J Phys Chem A. 2016. PMID: 26701760 No abstract available.
72 results