Bencini A - Search Results

1

Charge distribution in bis-dioxolene radical metal complexes. synthesis and DFT characterization of dinuclear Co(III) and Cr(III) complexes with a mixed-valent, S = 1/2 semiquinone-catecholate ligand.

Bencini A, Daul CA, Dei A, Mariotti F, Lee H, Shultz DA, Sorace L. Bencini A, et al. Inorg Chem. 2001 Mar 26;40(7):1582-90. doi: 10.1021/ic0007052. Inorg Chem. 2001. PMID: 11261968

2

Crystal and molecular structure and magnetic exchange properties of bis(di-micro-ethoxo-bis(3,5-di-tert-butylsemiquinonato)dicopper(II)) complex. A synergy between DFT and experimental magnetochemistry.

Bencini A, Dei A, Sangregorio C, Totti F, Vaz MG. Bencini A, et al. Inorg Chem. 2003 Dec 1;42(24):8065-71. doi: 10.1021/ic034447v. Inorg Chem. 2003. PMID: 14632527

3

Density Functional Description of the Ferromagnetic Exchange Interactions between Semiquinonato Radicals Mediated by Diamagnetic Metal Ions.

Bencini A, Ciofini I, Giannasi E, Daul CA, Doclo K. Bencini A, et al. Inorg Chem. 1998 Jul 27;37(15):3719-3725. doi: 10.1021/ic970906e. Inorg Chem. 1998. PMID: 11670471

4

Low-valent low-coordinated manganese(I) ion dimer: a temperature dependent W-band EPR study.

Sorace L, Golze C, Gatteschi D, Bencini A, Roesky HW, Chai J, Stückl AC. Sorace L, et al. Among authors: bencini a. Inorg Chem. 2006 Jan 9;45(1):395-400. doi: 10.1021/ic051496u. Inorg Chem. 2006. PMID: 16390080

5

The influence of ligand field effects on the magnetic exchange of high-spin Co(II)-semiquinonate complexes.

Bencini A, Beni A, Costantino F, Dei A, Gatteschi D, Sorace L. Bencini A, et al. Dalton Trans. 2006 Feb 7;(5):722-9. doi: 10.1039/b508769d. Epub 2005 Oct 28. Dalton Trans. 2006. PMID: 16429177

6

Density functional description of the early stages of the dioxygenation of [(MeC(CH2PPh2)3)M(catecholate)]+ complexes [M = Co(III), Ir(III)]: toward a rationalization of the catalytic mechanism of ring-opening dioxygenases.

Bencini A, Bill E, Mariotti F, Totti F, Scozzafava A, Vargas A. Bencini A, et al. Inorg Chem. 2000 Apr 3;39(7):1418-25. doi: 10.1021/ic990633i. Inorg Chem. 2000. PMID: 12526444

7

Spin-Density Map of the Triplet Ground State of a Titanium(IV) Complex with Schiff-Base Diquinone Radical Ligands: An Investigation Using Polarized-Neutron Diffraction and Density-Functional Theory This work was supported by the 3MD EU network (contract ERB 4061 PL 97-0197).

Pontillon Y, Bencini A, Caneschi A, Dei A, Gatteschi D, Gillon B, Sangregorio C, Stride J, Totti F. Pontillon Y, et al. Among authors: bencini a. Angew Chem Int Ed Engl. 2000 May 15;39(10):1786-1788. doi: 10.1002/(sici)1521-3773(20000515)39:10<1786::aid-anie1786>3.0.co;2-i. Angew Chem Int Ed Engl. 2000. PMID: 10934361 No abstract available.

8

Combined charge and spin density experimental study of the yttrium(III) semiquinonato complex Y(HBPz3)2(DTBSQ) and DFT calculations.

Claiser N, Souhassou M, Lecomte C, Gillon B, Carbonera C, Caneschi A, Dei A, Gatteschi D, Bencini A, Pontillon Y, Lelièvre-Berna E. Claiser N, et al. Among authors: bencini a. J Phys Chem B. 2005 Feb 24;109(7):2723-32. doi: 10.1021/jp0467907. J Phys Chem B. 2005. PMID: 16851280

9

Magnetic properties and vapochromic reversible guest-induced transformation in a bispyrazolato copper(II) polymer: an experimental and dispersion-corrected density functional theory study.

Bencini A, Casarin M, Forrer D, Franco L, Garau F, Masciocchi N, Pandolfo L, Pettinari C, Ruzzi M, Vittadini A. Bencini A, et al. Inorg Chem. 2009 May 4;48(9):4044-51. doi: 10.1021/ic801928b. Inorg Chem. 2009. PMID: 19348437

10

Syntheses, crystal structures, and magnetic properties of [Ln(III)2(Succinate)3(H2O)2].0.5H2O [Ln = Pr, Nd, Sm, Eu, Gd, and Dy] polymeric networks: unusual ferromagnetic coupling in Gd derivative.

Manna SC, Zangrando E, Bencini A, Benelli C, Chaudhuri NR. Manna SC, et al. Among authors: bencini a. Inorg Chem. 2006 Oct 30;45(22):9114-22. doi: 10.1021/ic060807d. Inorg Chem. 2006. PMID: 17054372

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