McKee ML - Search Results

1

A zinc-containing porphyrin aluminum MOF in sorption of diethyl sulfide vapor: mechanistic experimental and computational study.

Ullah S, McKee ML, Samokhvalov A. Ullah S, et al. Among authors: mckee ml. Phys Chem Chem Phys. 2023 Nov 29;25(46):31884-31897. doi: 10.1039/d3cp03779g. Phys Chem Chem Phys. 2023. PMID: 37971379

2

Density Functional Study of Neutral and Charged Silver Clusters Ag_n with n = 2-22. Evolution of Properties and Structure.

McKee ML, Samokhvalov A. McKee ML, et al. J Phys Chem A. 2017 Jul 6;121(26):5018-5028. doi: 10.1021/acs.jpca.7b03905. Epub 2017 Jun 22. J Phys Chem A. 2017. PMID: 28586620

3

Evaluation of packing single and multiple atoms and molecules in the porous organic cage CC3-R.

McKee NA, McKee ML. McKee NA, et al. Among authors: mckee ml. Phys Chem Chem Phys. 2021 Sep 15;23(35):19255-19268. doi: 10.1039/d1cp01934a. Phys Chem Chem Phys. 2021. PMID: 34524296

4

Interaction of a Porphyrin Aluminum Metal-Organic Framework with Volatile Organic Sulfur Compound Diethyl Sulfide Studied via In Situ and Ex Situ Experiments and DFT Computations.

Ullah S, McKee ML, Samokhvalov A. Ullah S, et al. Among authors: mckee ml. Nanomaterials (Basel). 2023 Nov 8;13(22):2916. doi: 10.3390/nano13222916. Nanomaterials (Basel). 2023. PMID: 37999269 Free PMC article.

5

Mechanism of formation of biocidal imidazolidin-4-one derivatives: an Ab initio density-functional theory study.

Akdag A, McKee ML, Worley SD. Akdag A, et al. Among authors: mckee ml. J Phys Chem A. 2006 Jun 22;110(24):7621-7. doi: 10.1021/jp060879q. J Phys Chem A. 2006. PMID: 16774206

6

An experimental and theoretical evaluation of the reactions of silver hyponitrite with phosphorus halides. In search of the elusive phosphorus-containing hyponitrites.

Joo H, Salam Biswas MA, Hill WE, McKee ML. Joo H, et al. Among authors: mckee ml. J Phys Chem A. 2005 Feb 24;109(7):1420-9. doi: 10.1021/jp045984j. J Phys Chem A. 2005. PMID: 16833460

7

Computational study of the "stable" bis(amino)silylene reaction with halomethanes. A radical or concerted mechanism?

Joo H, McKee ML. Joo H, et al. Among authors: mckee ml. J Phys Chem A. 2005 Apr 28;109(16):3728-38. doi: 10.1021/jp044458p. J Phys Chem A. 2005. PMID: 16839041

8

Kinetic isotope effect and extended pH-dependent studies of the oxidation of hydroxylamine by hexachloroiridate(IV): ET and PCET.

Makarycheva-Mikhailova AV, Stanbury DM, McKee ML. Makarycheva-Mikhailova AV, et al. Among authors: mckee ml. J Phys Chem B. 2007 Jun 21;111(24):6942-8. doi: 10.1021/jp068990j. Epub 2007 Mar 24. J Phys Chem B. 2007. PMID: 17388557

9

A new mechanism for methane production from methyl-coenzyme M reductase as derived from density functional calculations.

Duin EC, McKee ML. Duin EC, et al. Among authors: mckee ml. J Phys Chem B. 2008 Feb 28;112(8):2466-82. doi: 10.1021/jp709860c. Epub 2008 Feb 2. J Phys Chem B. 2008. PMID: 18247503

10

Dependence of pKa on solute cavity for diprotic and triprotic acids.

Lee TB, McKee ML. Lee TB, et al. Among authors: mckee ml. Phys Chem Chem Phys. 2011 Jun 7;13(21):10258-69. doi: 10.1039/c1cp20161a. Epub 2011 Apr 28. Phys Chem Chem Phys. 2011. PMID: 21528149

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