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Resolving Discrepancy between Theory and Experiment in 4-Nitrotoluene Oxidation.
Klajman K, Ciepielowski G, Kamiński R, Adamczyk P, Paneth P. Klajman K, et al. Among authors: paneth p. J Phys Chem A. 2017 Sep 7;121(35):6638-6645. doi: 10.1021/acs.jpca.7b05474. Epub 2017 Aug 28. J Phys Chem A. 2017. PMID: 28806085
Although a few theory levels matched the experimental results obtained by compound specific isotope analysis (CSIA) for 4NT, they failed in reproducing results for other nitrotoluene derivatives studied previously [Wijker, R.S.; Adamczyk, P.; Bolotin, J.; Paneth, …
Although a few theory levels matched the experimental results obtained by compound specific isotope analysis (CSIA) for 4NT, they failed in …
Experimental and theoretical multiple kinetic isotope effects for an SN2 reaction. An attempt to determine transition-state structure and the ability of theoretical methods to predict experimental kinetic isotope effects.
Fang YR, Gao Y, Ryberg P, Eriksson J, Kołodziejska-Huben M, Dybała-Defratyka A, Madhavan S, Danielsson R, Paneth P, Matsson O, Westaway KC. Fang YR, et al. Among authors: paneth p. Chemistry. 2003 Jun 16;9(12):2696-709. doi: 10.1002/chem.200204119. Chemistry. 2003. PMID: 12772284
125 results