Quiñonero D - Search Results

1

The role of the central atom in structure and reactivity of polyoxometalates with adjacent d-electron metal sites. computational and experimental studies of gamma-[(Xn+O4)RuIII2(OH)2(MFM)10O32](8-n)-) for MFM = Mo and W, and X = AlIII, SiIV, PV, and SVI.

Quiñonero D, Wang Y, Morokuma K, Khavrutskii LA, Botar B, Geletii YV, Hill CL, Musaev DG. Quiñonero D, et al. J Phys Chem B. 2006 Jan 12;110(1):170-3. doi: 10.1021/jp054728j. J Phys Chem B. 2006. PMID: 16471516

2

Computational studies of the geometry and electronic structure of an all-inorganic and homogeneous tetra-Ru-polyoxotungstate catalyst for water oxidation and its four subsequent one-electron oxidized forms.

Quiñonero D, Kaledin AL, Kuznetsov AE, Geletii YV, Besson C, Hill CL, Musaev DG. Quiñonero D, et al. J Phys Chem A. 2010 Jan 14;114(1):535-42. doi: 10.1021/jp907471h. J Phys Chem A. 2010. PMID: 19957979

3

Theoretical studies of the complex [(BPMEN)Fe(II)(NCCH3)2](2+), precursor of non-heme iron catalysts for olefin epoxidation and cis-dihydroxylation.

Quiñonero D, Musaev DG, Morokuma K. Quiñonero D, et al. Inorg Chem. 2003 Dec 15;42(25):8449-55. doi: 10.1021/ic0348392. Inorg Chem. 2003. PMID: 14658899

4

Metal-peroxo versus metal-oxo oxidants in non-heme iron-catalyzed olefin oxidations: computational and experimental studies on the effect of water.

Quiñonero D, Morokuma K, Musaev DG, Mas-Ballesté R, Que L Jr. Quiñonero D, et al. J Am Chem Soc. 2005 May 11;127(18):6548-9. doi: 10.1021/ja051062y. J Am Chem Soc. 2005. PMID: 15869272

5

Structural, physicochemical, and reactivity properties of an all-inorganic, highly active tetraruthenium homogeneous catalyst for water oxidation.

Geletii YV, Besson C, Hou Y, Yin Q, Musaev DG, Quiñonero D, Cao R, Hardcastle KI, Proust A, Kögerler P, Hill CL. Geletii YV, et al. Among authors: quinonero d. J Am Chem Soc. 2009 Dec 2;131(47):17360-70. doi: 10.1021/ja907277b. J Am Chem Soc. 2009. PMID: 19894721

6

Investigating Polyoxometalate-Protein Interactions at Chemically Distinct Binding Sites.

Paul TJ, Parac-Vogt TN, Quiñonero D, Prabhakar R. Paul TJ, et al. Among authors: quinonero d. J Phys Chem B. 2018 Jul 26;122(29):7219-7232. doi: 10.1021/acs.jpcb.8b02931. Epub 2018 Jul 18. J Phys Chem B. 2018. PMID: 29975530

7

Ab initio study of [n.n]paracyclophane (n = 2, 3) complexes with cations: unprecedented through-space substituent effects.

Frontera A, Quiñonero D, Garau C, Costa A, Ballester P, Deyà PM. Frontera A, et al. Among authors: quinonero d. J Phys Chem A. 2006 Apr 20;110(15):5144-8. doi: 10.1021/jp056976l. J Phys Chem A. 2006. PMID: 16610837

8

Approximate additivity of anion-pi interactions: an ab initio study on anion-pi, anion-pi(2) and anion-pi(3) complexes.

Garau C, Quiñonero D, Frontera A, Ballester P, Costa A, Deyà PM. Garau C, et al. Among authors: quinonero d. J Phys Chem A. 2005 Oct 20;109(41):9341-5. doi: 10.1021/jp053380p. J Phys Chem A. 2005. PMID: 16833275

9

MP2 study of cation-(pi)n-pi interactions (n = 1-4).

Frontera A, Quiñonero D, Garau C, Costa A, Ballester P, Deyà PM. Frontera A, et al. Among authors: quinonero d. J Phys Chem A. 2006 Aug 3;110(30):9307-9. doi: 10.1021/jp062176e. J Phys Chem A. 2006. PMID: 16869676

10

Dual cation and anion acceptor molecules. The case of the (eta6-C6H6)(eta6C6F6)Cr0 complex.

Alkorta I, Quiñonero D, Garau C, Frontera A, Elguero J, Deyà PM. Alkorta I, et al. Among authors: quinonero d. J Phys Chem A. 2007 Apr 26;111(16):3137-42. doi: 10.1021/jp070324a. Epub 2007 Mar 31. J Phys Chem A. 2007. PMID: 17397144

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