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Page 1
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
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
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
76 results