Poblet JM - Search Results

1

Prediction of heterofullerene stabilities: a combined DFT and chemometric study of C56Pt2, C57Pt2 and C81Pt2.

Campanera JM, Bo C, Balch AL, Ferré J, Poblet JM. Campanera JM, et al. Among authors: poblet jm. Chemistry. 2005 Apr 22;11(9):2730-42. doi: 10.1002/chem.200400814. Chemistry. 2005. PMID: 15736280

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 Structure of Rh(2)(&mgr;-CO)(CO)(2)(H(2)PCH(2)PH(2))(2). An Example of a Non-A-Frame Structure.

Bo C, Costas M, Poblet JM, Rohmer MM, Benard M. Bo C, et al. Among authors: poblet jm. Inorg Chem. 1996 May 22;35(11):3298-3306. doi: 10.1021/ic9505256. Inorg Chem. 1996. PMID: 11666532

5

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

6

DFT studies of uranyl acetate, carbonate, and malonate, complexes in solution.

Vázquez J, Bo C, Poblet JM, de Pablo J, Bruno J. Vázquez J, et al. Among authors: poblet jm. Inorg Chem. 2003 Sep 22;42(19):6136-41. doi: 10.1021/ic0342393. Inorg Chem. 2003. PMID: 12971787

7

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

8

On the origin of regio- and stereoselectivity in the rhodium-catalyzed vinylarenes hydroboration reaction.

Daura-Oller E, Segarra AM, Poblet JM, Claver C, Fernández E, Bo C. Daura-Oller E, et al. Among authors: poblet jm. J Org Chem. 2004 Apr 16;69(8):2669-80. doi: 10.1021/jo035392h. J Org Chem. 2004. PMID: 15074912

9

Organometallic derivatives of fullerenes: a DFT study of (eta2-Cx)[Pt(PH3)2]n (x = 60, 70, 84; n = 1-6).

Campanera JM, Muñoz J, Vázquez J, Bo C, Poblet JM. Campanera JM, et al. Among authors: poblet jm. Inorg Chem. 2004 Oct 18;43(21):6815-21. doi: 10.1021/ic048996s. Inorg Chem. 2004. PMID: 15476382

10

In quest of factors that control the enantioselective catalytic Markovnikov hydroboration/oxidation of vinylarenes.

Segarra AM, Daura-Oller E, Claver C, Poblet JM, Bo C, Fernández E. Segarra AM, et al. Among authors: poblet jm. Chemistry. 2004 Dec 3;10(24):6456-67. doi: 10.1002/chem.200400574. Chemistry. 2004. PMID: 15540267

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