Tentscher PR - Search Results

1

Aqueous oxidation of sulfonamide antibiotics: aromatic nucleophilic substitution of an aniline radical cation.

Tentscher PR, Eustis SN, McNeill K, Arey JS. Tentscher PR, et al. Chemistry. 2013 Aug 19;19(34):11216-23. doi: 10.1002/chem.201204005. Epub 2013 Jul 4. Chemistry. 2013. PMID: 23828254

2

On the nature of interactions of radicals with polar molecules.

Tentscher PR, Arey JS. Tentscher PR, et al. J Phys Chem A. 2013 Nov 27;117(47):12560-8. doi: 10.1021/jp407041e. Epub 2013 Nov 13. J Phys Chem A. 2013. PMID: 24224466

3

Exploring the aqueous vertical ionization of organic molecules by molecular simulation and liquid microjet photoelectron spectroscopy.

Tentscher PR, Seidel R, Winter B, Guerard JJ, Arey JS. Tentscher PR, et al. J Phys Chem B. 2015 Jan 8;119(1):238-56. doi: 10.1021/jp508053m. Epub 2014 Dec 17. J Phys Chem B. 2015. PMID: 25516011

4

Binding in Radical-Solvent Binary Complexes: Benchmark Energies and Performance of Approximate Methods.

Tentscher PR, Arey JS. Tentscher PR, et al. J Chem Theory Comput. 2013 Mar 12;9(3):1568-79. doi: 10.1021/ct300846m. Epub 2013 Feb 22. J Chem Theory Comput. 2013. PMID: 26587618

5

Geometries and Vibrational Frequencies of Small Radicals: Performance of Coupled Cluster and More Approximate Methods.

Tentscher PR, Arey JS. Tentscher PR, et al. J Chem Theory Comput. 2012 Jun 12;8(6):2165-79. doi: 10.1021/ct300194x. Epub 2012 May 16. J Chem Theory Comput. 2012. PMID: 26593847

6

Gas-Phase Ozone Reactions with a Structurally Diverse Set of Molecules: Barrier Heights and Reaction Energies Evaluated by Coupled Cluster and Density Functional Theory Calculations.

Trogolo D, Arey JS, Tentscher PR. Trogolo D, et al. Among authors: tentscher pr. J Phys Chem A. 2019 Jan 17;123(2):517-536. doi: 10.1021/acs.jpca.8b10323. Epub 2019 Jan 4. J Phys Chem A. 2019. PMID: 30607948

7

Reactivity of BrCl, Br₂, BrOCl, Br₂O, and HOBr toward dimethenamid in solutions of bromide + aqueous free chlorine.

Sivey JD, Arey JS, Tentscher PR, Roberts AL. Sivey JD, et al. Among authors: tentscher pr. Environ Sci Technol. 2013 Feb 5;47(3):1330-8. doi: 10.1021/es302730h. Epub 2013 Jan 16. Environ Sci Technol. 2013. PMID: 23323704

8

Explicit solvent simulations of the aqueous oxidation potential and reorganization energy for neutral molecules: gas phase, linear solvent response, and non-linear response contributions.

Guerard JJ, Tentscher PR, Seijo M, Samuel Arey J. Guerard JJ, et al. Among authors: tentscher pr. Phys Chem Chem Phys. 2015 Jun 14;17(22):14811-26. doi: 10.1039/c4cp04760e. Phys Chem Chem Phys. 2015. PMID: 25978135

9

Micropollutant Oxidation Studied by Quantum Chemical Computations: Methodology and Applications to Thermodynamics, Kinetics, and Reaction Mechanisms.

Tentscher PR, Lee M, von Gunten U. Tentscher PR, et al. Acc Chem Res. 2019 Mar 19;52(3):605-614. doi: 10.1021/acs.accounts.8b00610. Epub 2019 Mar 4. Acc Chem Res. 2019. PMID: 30829468

10

Ozonation of Para-Substituted Phenolic Compounds Yields p-Benzoquinones, Other Cyclic α,β-Unsaturated Ketones, and Substituted Catechols.

Tentscher PR, Bourgin M, von Gunten U. Tentscher PR, et al. Environ Sci Technol. 2018 Apr 17;52(8):4763-4773. doi: 10.1021/acs.est.8b00011. Epub 2018 Mar 21. Environ Sci Technol. 2018. PMID: 29560712

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