Costa PJ - Search Results

1

CNN pincer ruthenium catalysts for hydrogenation and transfer hydrogenation of ketones: experimental and computational studies.

Baratta W, Baldino S, Calhorda MJ, Costa PJ, Esposito G, Herdtweck E, Magnolia S, Mealli C, Messaoudi A, Mason SA, Veiros LF. Baratta W, et al. Among authors: costa pj. Chemistry. 2014 Oct 13;20(42):13603-17. doi: 10.1002/chem.201402229. Epub 2014 Sep 4. Chemistry. 2014. PMID: 25195979

2

Low-lying excited states and primary photoproducts of [Os3(CO)10(s-cis-L)] (L=cyclohexa-1,3-diene, buta-1,3-diene)] clusters studied by picosecond time-resolved UV/Vis and IR spectroscopy and by density functional theory.

Vergeer FW, Matousek P, Towrie M, Costa PJ, Calhorda MJ, Hartl F. Vergeer FW, et al. Among authors: costa pj. Chemistry. 2004 Jul 19;10(14):3451-60. doi: 10.1002/chem.200400086. Chemistry. 2004. PMID: 15252791

3

Anodic preparation of [Re2Cp2(CO)6]2+: a dimeric dication that provides the powerful one-electron oxidant [ReCp(CO)3]+.

Chong D, Nafady A, Costa PJ, Calhorda MJ, Geiger WE. Chong D, et al. Among authors: costa pj. J Am Chem Soc. 2005 Nov 16;127(45):15676-7. doi: 10.1021/ja055045k. J Am Chem Soc. 2005. PMID: 16277489

4

Synthesis, structural characterization, and theoretical studies of gold(I) and gold(I)-gold(III) thiolate complexes: quenching of gold(I) thiolate luminescence.

Bardají M, Calhorda MJ, Costa PJ, Jones PG, Laguna A, Reyes Pérez M, Villacampa MD. Bardají M, et al. Among authors: costa pj. Inorg Chem. 2006 Feb 6;45(3):1059-68. doi: 10.1021/ic051168u. Inorg Chem. 2006. PMID: 16441114

5

Olefin epoxidation with tert-butyl hydroperoxide catalyzed by MoO2X2L complexes: a DFT mechanistic study.

Veiros LF, Prazeres A, Costa PJ, Romão CC, Kühn FE, José Calhorda M. Veiros LF, et al. Among authors: costa pj. Dalton Trans. 2006 Mar 21;(11):1383-9. doi: 10.1039/b515484g. Epub 2006 Jan 20. Dalton Trans. 2006. PMID: 16518507

6

Electrochemical oxidation of CoCp(CO)2: radical-substrate reaction of a 17 e-/18 e- pair and production of a unique dimer radical.

Nafady A, Costa PJ, Calhorda MJ, Geiger WE. Nafady A, et al. Among authors: costa pj. J Am Chem Soc. 2006 Dec 27;128(51):16587-99. doi: 10.1021/ja0653775. J Am Chem Soc. 2006. PMID: 17177408

7

Catalyzing aldehyde hydrosilylation with a molybdenum(VI) complex: a density functional theory study.

Costa PJ, Romão CC, Fernandes AC, Royo B, Reis PM, Calhorda MJ. Costa PJ, et al. Chemistry. 2007;13(14):3934-41. doi: 10.1002/chem.200601699. Chemistry. 2007. PMID: 17330316

8

Hydrogen activation by high-valent oxo-molybdenum(VI) and -rhenium(VII) and -(V) compounds.

Reis PM, Costa PJ, Romão CC, Fernandes JA, Calhorda MJ, Royo B. Reis PM, et al. Among authors: costa pj. Dalton Trans. 2008 Apr 7;(13):1727-33. doi: 10.1039/b719375k. Epub 2008 Feb 27. Dalton Trans. 2008. PMID: 18354770

9

Charge parametrization of the DvH-c3 heme group: validation using constant-(pH,E) molecular dynamics simulations.

Henriques J, Costa PJ, Calhorda MJ, Machuqueiro M. Henriques J, et al. Among authors: costa pj. J Phys Chem B. 2013 Jan 10;117(1):70-82. doi: 10.1021/jp3082134. Epub 2012 Dec 19. J Phys Chem B. 2013. PMID: 23199023

10

Accurate Description of Low-Lying Excited States in a Series of Photoreactive Clusters [Os₃(CO)₁₀(α-diimine)] by DFT Calculations.

Hartl F, Bakker MJ, Santos VF, Costa PJ, Calhorda MJ. Hartl F, et al. Among authors: costa pj. Inorg Chem. 2018 Sep 17;57(18):11704-11716. doi: 10.1021/acs.inorgchem.8b01847. Epub 2018 Sep 6. Inorg Chem. 2018. PMID: 30188701

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