Felmy AR - Search Results

1

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: felmy ar. 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

2

Prediction of the pKa's of aqueous metal ion +2 complexes.

Jackson VE, Felmy AR, Dixon DA. Jackson VE, et al. Among authors: felmy ar. J Phys Chem A. 2015 Mar 26;119(12):2926-39. doi: 10.1021/jp5118272. Epub 2015 Mar 16. J Phys Chem A. 2015. PMID: 25721568

3

High-level ab initio predictions of the energetics of mCO2·(H2O)n (n = 1-3, m = 1-12) clusters.

Thanthiriwatte KS, Duke JR, Jackson VE, Felmy AR, Dixon DA. Thanthiriwatte KS, et al. Among authors: felmy ar. J Phys Chem A. 2012 Oct 4;116(39):9718-29. doi: 10.1021/jp306594h. Epub 2012 Sep 21. J Phys Chem A. 2012. PMID: 22924553

4

Structures and stabilities of (MgO)n nanoclusters.

Chen M, Felmy AR, Dixon DA. Chen M, et al. Among authors: felmy ar. J Phys Chem A. 2014 May 1;118(17):3136-46. doi: 10.1021/jp412820z. Epub 2014 Apr 21. J Phys Chem A. 2014. PMID: 24716776

5

Structures and energetics of (MgCO3)n clusters (n ≤ 16).

Chen M, Jackson VE, Felmy AR, Dixon DA. Chen M, et al. Among authors: felmy ar. J Phys Chem A. 2015 Apr 9;119(14):3419-28. doi: 10.1021/jp511823k. Epub 2015 Mar 26. J Phys Chem A. 2015. PMID: 25768206

6

Dynamics of Magnesite Formation at Low Temperature and High pCO2 in Aqueous Solution.

Qafoku O, Dixon DA, Rosso KM, Schaef HT, Bowden ME, Arey BW, Felmy AR. Qafoku O, et al. Among authors: felmy ar. Environ Sci Technol. 2015 Sep 1;49(17):10736-44. doi: 10.1021/acs.est.5b02588. Epub 2015 Aug 11. Environ Sci Technol. 2015. PMID: 26200317

7

In Situ Natural Abundance ¹⁷O and ²⁵Mg NMR Investigation of Aqueous Mg(OH)₂ Dissolution in the Presence of Supercritical CO₂.

Hu MY, Deng X, Thanthiriwatte KS, Jackson VE, Wan C, Qafoku O, Dixon DA, Felmy AR, Rosso KM, Hu JZ. Hu MY, et al. Among authors: felmy ar. Environ Sci Technol. 2016 Nov 15;50(22):12373-12384. doi: 10.1021/acs.est.6b03443. Epub 2016 Oct 27. Environ Sci Technol. 2016. PMID: 27718556

8

Solution state structure determination of silicate oligomers by 29SI NMR spectroscopy and molecular modeling.

Cho H, Felmy AR, Craciun R, Keenum JP, Shah N, Dixon DA. Cho H, et al. Among authors: felmy ar. J Am Chem Soc. 2006 Feb 22;128(7):2324-35. doi: 10.1021/ja0559202. J Am Chem Soc. 2006. PMID: 16478188

9

Ab initio thermodynamic model for magnesium carbonates and hydrates.

Chaka AM, Felmy AR. Chaka AM, et al. Among authors: felmy ar. J Phys Chem A. 2014 Sep 4;118(35):7469-88. doi: 10.1021/jp500271n. Epub 2014 Apr 25. J Phys Chem A. 2014. PMID: 24679248

10

Mica surfaces stabilize pentavalent uranium.

Ilton ES, Haiduc A, Cahill CL, Felmy AR. Ilton ES, et al. Among authors: felmy ar. Inorg Chem. 2005 May 2;44(9):2986-8. doi: 10.1021/ic0487272. Inorg Chem. 2005. PMID: 15847396

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