Batista VS - Search Results

1

Solution Structures of Highly Active Molecular Ir Water-Oxidation Catalysts from Density Functional Theory Combined with High-Energy X-ray Scattering and EXAFS Spectroscopy.

Yang KR, Matula AJ, Kwon G, Hong J, Sheehan SW, Thomsen JM, Brudvig GW, Crabtree RH, Tiede DM, Chen LX, Batista VS. Yang KR, et al. Among authors: batista vs. J Am Chem Soc. 2016 May 4;138(17):5511-4. doi: 10.1021/jacs.6b01750. Epub 2016 Apr 22. J Am Chem Soc. 2016. PMID: 27087202

2

The mechanism of photosynthetic water splitting.

McEvoy JP, Gascon JA, Batista VS, Brudvig GW. McEvoy JP, et al. Among authors: batista vs. Photochem Photobiol Sci. 2005 Dec;4(12):940-9. doi: 10.1039/b506755c. Epub 2005 Oct 4. Photochem Photobiol Sci. 2005. PMID: 16307106

3

Characterization of synthetic oxomanganese complexes and the inorganic core of the O2-evolving complex in photosystem II: evaluation of the DFT/B3LYP level of theory.

Sproviero EM, Gascon JA, McEvoy JP, Brudvig GW, Batista VS. Sproviero EM, et al. Among authors: batista vs. J Inorg Biochem. 2006 Apr;100(4):786-800. doi: 10.1016/j.jinorgbio.2006.01.017. Epub 2006 Feb 28. J Inorg Biochem. 2006. PMID: 16510187

4

Quantum mechanics/molecular mechanics structural models of the oxygen-evolving complex of photosystem II.

Sproviero EM, Gascón JA, McEvoy JP, Brudvig GW, Batista VS. Sproviero EM, et al. Among authors: batista vs. Curr Opin Struct Biol. 2007 Apr;17(2):173-80. doi: 10.1016/j.sbi.2007.03.015. Epub 2007 Mar 28. Curr Opin Struct Biol. 2007. PMID: 17395452 Review.

5

QM/MM computational studies of substrate water binding to the oxygen-evolving centre of photosystem II.

Sproviero EM, Shinopoulos K, Gascón JA, McEvoy JP, Brudvig GW, Batista VS. Sproviero EM, et al. Among authors: batista vs. Philos Trans R Soc Lond B Biol Sci. 2008 Mar 27;363(1494):1149-56; discussion 1156. doi: 10.1098/rstb.2007.2210. Philos Trans R Soc Lond B Biol Sci. 2008. PMID: 17971333 Free PMC article. Review.

6

Quantum mechanics/molecular mechanics study of the catalytic cycle of water splitting in photosystem II.

Sproviero EM, Gascón JA, McEvoy JP, Brudvig GW, Batista VS. Sproviero EM, et al. Among authors: batista vs. J Am Chem Soc. 2008 Mar 19;130(11):3428-42. doi: 10.1021/ja076130q. Epub 2008 Feb 22. J Am Chem Soc. 2008. PMID: 18290643

7

A model of the oxygen-evolving center of photosystem II predicted by structural refinement based on EXAFS simulations.

Sproviero EM, Gascón JA, McEvoy JP, Brudvig GW, Batista VS. Sproviero EM, et al. Among authors: batista vs. J Am Chem Soc. 2008 May 28;130(21):6728-30. doi: 10.1021/ja801979n. Epub 2008 May 6. J Am Chem Soc. 2008. PMID: 18457397 Free PMC article.

8

Computational insights into the O2-evolving complex of photosystem II.

Sproviero EM, McEvoy JP, Gascón JA, Brudvig GW, Batista VS. Sproviero EM, et al. Among authors: batista vs. Photosynth Res. 2008 Jul;97(1):91-114. doi: 10.1007/s11120-008-9307-0. Epub 2008 May 16. Photosynth Res. 2008. PMID: 18483777 Free PMC article. Review.

9

Acetylacetonate anchors for robust functionalization of TiO2 nanoparticles with Mn(II)-terpyridine complexes.

McNamara WR, Snoeberger RC 3rd, Li G, Schleicher JM, Cady CW, Poyatos M, Schmuttenmaer CA, Crabtree RH, Brudvig GW, Batista VS. McNamara WR, et al. Among authors: batista vs. J Am Chem Soc. 2008 Oct 29;130(43):14329-38. doi: 10.1021/ja805498w. Epub 2008 Oct 3. J Am Chem Soc. 2008. PMID: 18831585

10

Computational studies of the O(2)-evolving complex of photosystem II and biomimetic oxomanganese complexes.

Sproviero EM, Gascón JA, McEvoy JP, Brudvig GW, Batista VS. Sproviero EM, et al. Among authors: batista vs. Coord Chem Rev. 2008 Feb;252(3-4):395-415. doi: 10.1016/j.ccr.2007.09.006. Coord Chem Rev. 2008. PMID: 19190716 Free PMC article.

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