Tratnyek PG - Search Results

1

Ab initio electronic structure study of one-electron reduction of polychlorinated ethylenes.

Bylaska EJ, Dupuis M, Tratnyek PG. Bylaska EJ, et al. Among authors: tratnyek pg. J Phys Chem A. 2005 Jul 7;109(26):5905-16. doi: 10.1021/jp0407526. J Phys Chem A. 2005. PMID: 16833925

2

Diversity of contaminant reduction reactions by zerovalent iron: role of the reductate.

Miehr R, Tratnyek PG, Bandstra JZ, Scherer MM, Alowitz MJ, Bylaska EJ. Miehr R, et al. Among authors: tratnyek pg. Environ Sci Technol. 2004 Jan 1;38(1):139-47. doi: 10.1021/es034237h. Environ Sci Technol. 2004. PMID: 14740729

3

Combined quantum mechanical and molecular mechanics studies of the electron-transfer reactions involving carbon tetrachloride in solution.

Valiev M, Bylaska EJ, Dupuis M, Tratnyek PG. Valiev M, et al. Among authors: tratnyek pg. J Phys Chem A. 2008 Mar 27;112(12):2713-20. doi: 10.1021/jp7104709. Epub 2008 Feb 26. J Phys Chem A. 2008. PMID: 18298106

4

One-electron-transfer reactions of polychlorinated ethylenes: concerted and stepwise cleavages.

Bylaska EJ, Dupuis M, Tratnyek PG. Bylaska EJ, et al. Among authors: tratnyek pg. J Phys Chem A. 2008 Apr 24;112(16):3712-21. doi: 10.1021/jp711021d. Epub 2008 Mar 27. J Phys Chem A. 2008. PMID: 18366197

5

Free energies for degradation reactions of 1,2,3-trichloropropane from ab initio electronic structure theory.

Bylaska EJ, Glaesemann KR, Felmy AR, Vasiliu M, Dixon DA, Tratnyek PG. Bylaska EJ, et al. Among authors: tratnyek pg. J Phys Chem A. 2010 Nov 25;114(46):12269-82. doi: 10.1021/jp105726u. Epub 2010 Nov 1. J Phys Chem A. 2010. PMID: 21038905

6

Mechanisms and kinetics of alkaline hydrolysis of the energetic nitroaromatic compounds 2,4,6-trinitrotoluene (TNT) and 2,4-dinitroanisole (DNAN).

Salter-Blanc AJ, Bylaska EJ, Ritchie JJ, Tratnyek PG. Salter-Blanc AJ, et al. Among authors: tratnyek pg. Environ Sci Technol. 2013 Jul 2;47(13):6790-8. doi: 10.1021/es304461t. Epub 2013 Feb 22. Environ Sci Technol. 2013. PMID: 23373810

7

Predicting reduction rates of energetic nitroaromatic compounds using calculated one-electron reduction potentials.

Salter-Blanc AJ, Bylaska EJ, Johnston HJ, Tratnyek PG. Salter-Blanc AJ, et al. Among authors: tratnyek pg. Environ Sci Technol. 2015 Mar 17;49(6):3778-86. doi: 10.1021/es505092s. Epub 2015 Feb 27. Environ Sci Technol. 2015. PMID: 25671710 Free article.

8

Structure-Activity Relationships for Rates of Aromatic Amine Oxidation by Manganese Dioxide.

Salter-Blanc AJ, Bylaska EJ, Lyon MA, Ness SC, Tratnyek PG. Salter-Blanc AJ, et al. Among authors: tratnyek pg. Environ Sci Technol. 2016 May 17;50(10):5094-102. doi: 10.1021/acs.est.6b00924. Epub 2016 Apr 27. Environ Sci Technol. 2016. PMID: 27074054

9

Oxidation potentials of phenols and anilines: correlation analysis of electrochemical and theoretical values.

Pavitt AS, Bylaska EJ, Tratnyek PG. Pavitt AS, et al. Among authors: tratnyek pg. Environ Sci Process Impacts. 2017 Mar 22;19(3):339-349. doi: 10.1039/c6em00694a. Environ Sci Process Impacts. 2017. PMID: 28229145

10

In silico environmental chemical science: properties and processes from statistical and computational modelling.

Tratnyek PG, Bylaska EJ, Weber EJ. Tratnyek PG, et al. Environ Sci Process Impacts. 2017 Mar 22;19(3):188-202. doi: 10.1039/c7em00053g. Environ Sci Process Impacts. 2017. PMID: 28262894

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