Poblet JM - Search Results

1

Preparation of α1- and α2-isomers of mono-Ru-substituted Dawson-type phosphotungstates with an aqua ligand and comparison of their redox potentials, catalytic activities, and thermal stabilities with Keggin-type derivatives.

Nishiki K, Umehara N, Kadota Y, López X, Poblet JM, Mezui CA, Teillout AL, Mbomekalle IM, de Oliveira P, Miyamoto M, Sano T, Sadakane M. Nishiki K, et al. Among authors: poblet jm. Dalton Trans. 2016 Mar 7;45(9):3715-26. doi: 10.1039/c5dt04219d. Dalton Trans. 2016. PMID: 26672976

2

Electronic and magnetic properties of alpha-Keggin anions: A DFT study of [XM12O40](n-), (M = W, Mo; X = Al(III), Si(IV), P(V), Fe(III), Co(II), Co(III)) and [SiM11VO40](m- (M = Mo and W).

Maestre JM, Lopez X, Bo C, Poblet JM, Casañ-Pastor N. Maestre JM, et al. Among authors: poblet jm. J Am Chem Soc. 2001 Apr 25;123(16):3749-58. doi: 10.1021/ja003563j. J Am Chem Soc. 2001. PMID: 11457107

3

Electronic properties of polyoxometalates: a DFT study of alpha/beta-[XM(12)O(40)](n-) relative stability (M=W, Mo and X a main group element).

López X, Maestre JM, Bo C, Poblet JM. López X, et al. Among authors: poblet jm. J Am Chem Soc. 2001 Oct 3;123(39):9571-6. doi: 10.1021/ja010768z. J Am Chem Soc. 2001. PMID: 11572677

4

Electronic properties of polyoxometalates: electron and proton affinity of mixed-addenda Keggin and Wells-Dawson anions.

López X, Bo C, Poblet JM. López X, et al. Among authors: poblet jm. J Am Chem Soc. 2002 Oct 23;124(42):12574-82. doi: 10.1021/ja020407z. J Am Chem Soc. 2002. PMID: 12381202

5

Ab initio and DFT modelling of complex materials: towards the understanding of electronic and magnetic properties of polyoxometalates.

Poblet JM, López X, Bo C. Poblet JM, et al. Chem Soc Rev. 2003 Sep;32(5):297-308. doi: 10.1039/b109928k. Chem Soc Rev. 2003. PMID: 14518183

6

Are the solvent effects critical in the modeling of polyoxoanions?

López X, Fernández JA, Romo S, Paul JF, Kazansky L, Poblet JM. López X, et al. Among authors: poblet jm. J Comput Chem. 2004 Sep;25(12):1542-9. doi: 10.1002/jcc.20083. J Comput Chem. 2004. PMID: 15224398

7

DFT study on the five isomers of PW(12)O(40)(3)(-): relative stabilization upon reduction.

López X, Poblet JM. López X, et al. Among authors: poblet jm. Inorg Chem. 2004 Nov 1;43(22):6863-5. doi: 10.1021/ic049119p. Inorg Chem. 2004. PMID: 15500315

8

Redox properties of polyoxometalates: new insights on the anion charge effect.

López X, Fernández JA, Poblet JM. López X, et al. Among authors: poblet jm. Dalton Trans. 2006 Mar 7;(9):1162-7. doi: 10.1039/b507599h. Epub 2005 Nov 10. Dalton Trans. 2006. PMID: 16482352

9

Polyoxometalates in solution: Molecular dynamics simulations on the alpha-PW12O40(3-) Keggin anion in aqueous media.

López X, Nieto-Draghi C, Bo C, Avalos JB, Poblet JM. López X, et al. Among authors: poblet jm. J Phys Chem A. 2005 Feb 17;109(6):1216-22. doi: 10.1021/jp046862u. J Phys Chem A. 2005. PMID: 16833432

10

Structural evolution in polyoxometalates: a DFT study of dimerization processes in Lindqvist and Keggin cluster anions.

López X, Weinstock IA, Bo C, Sarasa JP, Poblet JM. López X, et al. Among authors: poblet jm. Inorg Chem. 2006 Aug 7;45(16):6467-73. doi: 10.1021/ic060112c. Inorg Chem. 2006. PMID: 16878960

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