Ciofini I - Search Results

1

Revisiting the relationship between the bond length alternation and the first hyperpolarizability with range-separated hybrid functionals.

Jacquemin D, Perpéte EA, Ciofini I, Adamo C. Jacquemin D, et al. Among authors: ciofini i. J Comput Chem. 2008 Apr 30;29(6):921-5. doi: 10.1002/jcc.20849. J Comput Chem. 2008. PMID: 17963222

2

Copper-Catalyzed Homocoupling of Boronic Acids: A Focus on B-to-Cu and Cu-to-Cu Transmetalations.

Salamé A, Rio J, Ciofini I, Perrin L, Grimaud L, Payard PA. Salamé A, et al. Among authors: ciofini i. Molecules. 2022 Nov 3;27(21):7517. doi: 10.3390/molecules27217517. Molecules. 2022. PMID: 36364349 Free PMC article.

3

Photocatalyst-free, visible-light-induced regio- and stereoselective synthesis of phosphorylated enamines from N-allenamides via [1,3]-sulfonyl shift at room temperature.

Guo JD, Korsaye FA, Schutz D, Ciofini I, Miesch L. Guo JD, et al. Among authors: ciofini i. Chem Sci. 2024 Oct 3;15(43):17962-70. doi: 10.1039/d4sc05190d. Online ahead of print. Chem Sci. 2024. PMID: 39397817 Free PMC article.

4

On the Calculation and Modeling of Magnetic Exchange Interactions in Weakly Bonded Systems: The Case of the Ferromagnetic Copper(II) &mgr;(2)-Azido Bridged Complexes.

Adamo C, Barone V, Bencini A, Totti F, Ciofini I. Adamo C, et al. Among authors: ciofini i. Inorg Chem. 1999 May 3;38(9):1996-2004. doi: 10.1021/ic9812306. Inorg Chem. 1999. PMID: 11670977

5

First-principle molecular dynamics of the Berry pseudorotation: insights on 19F NMR in SF4.

Pavone M, Barone V, Ciofini I, Adamo C. Pavone M, et al. Among authors: ciofini i. J Chem Phys. 2004 May 15;120(19):9167-74. doi: 10.1063/1.1707012. J Chem Phys. 2004. PMID: 15267853

6

Performance of the tau-dependent functionals in predicting the magnetic coupling of ionic antiferromagnetic insulators.

Ciofini I, Illas F, Adamo C. Ciofini I, et al. J Chem Phys. 2004 Feb 22;120(8):3811-6. doi: 10.1063/1.1642592. J Chem Phys. 2004. PMID: 15268545

7

Photoinduced intramolecular electron transfer in ruthenium and osmium polyads: insights from theory.

Ciofini I, Lainé PP, Bedioui F, Adamo C. Ciofini I, et al. J Am Chem Soc. 2004 Sep 1;126(34):10763-77. doi: 10.1021/ja0482278. J Am Chem Soc. 2004. PMID: 15327337

8

Complete structural and magnetic characterization of biological radicals in solution by an integrated quantum mechanical approach: glycyl radical as a case study.

Ciofini I, Adamo C, Barone V. Ciofini I, et al. J Chem Phys. 2004 Oct 8;121(14):6710-8. doi: 10.1063/1.1791031. J Chem Phys. 2004. PMID: 15473726

9

Photoinduced processes within compact dyads based on triphenylpyridinium-functionalized bipyridyl complexes of ruthenium(II).

Lainé PP, Ciofini I, Ochsenbein P, Amouyal E, Adamo C, Bedioui F. Lainé PP, et al. Among authors: ciofini i. Chemistry. 2005 Jun 6;11(12):3711-27. doi: 10.1002/chem.200401150. Chemistry. 2005. PMID: 15822134

10

Effect of self-interaction error in the evaluation of the bond length alternation in trans-polyacetylene using density-functional theory.

Ciofini I, Adamo C, Chermette H. Ciofini I, et al. J Chem Phys. 2005 Sep 22;123(12):121102. doi: 10.1063/1.2047447. J Chem Phys. 2005. PMID: 16397946

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