Guidoni L - Search Results

1

IRMPD spectroscopy and quantum chemistry calculations on mono- and bi-metallic complexes of acetylacetonate ligands with aluminum, iron, and ruthenium ions.

Nieuwjaer N, Beydoun A, Lecomte F, Manil B, Cappelluti F, Guidoni L, Scuderi D, Desfrançois C. Nieuwjaer N, et al. Among authors: guidoni l. J Chem Phys. 2020 Dec 21;153(23):234303. doi: 10.1063/5.0031653. J Chem Phys. 2020. PMID: 33353333

2

Vibrational signatures of S-nitrosoglutathione as gaseous, protonated species.

Gregori B, Guidoni L, Chiavarino B, Scuderi D, Nicol E, Frison G, Fornarini S, Crestoni ME. Gregori B, et al. Among authors: guidoni l. J Phys Chem B. 2014 Oct 30;118(43):12371-82. doi: 10.1021/jp5072742. Epub 2014 Oct 17. J Phys Chem B. 2014. PMID: 25274121

3

One-Electron Oxidation of Methionine-Containing Dipeptides of Reverse Sequence: Sulfur versus Sulfoxide Characterized by IRMPD Spectroscopy and Static and Dynamics DFT Simulations.

Gregori B, Guidoni L, Crestoni ME, de Oliveira P, Houée-Levin C, Scuderi D. Gregori B, et al. Among authors: guidoni l. J Phys Chem B. 2017 Mar 9;121(9):2083-2094. doi: 10.1021/acs.jpcb.6b12638. Epub 2017 Feb 24. J Phys Chem B. 2017. PMID: 28194975

4

Effects of Static Correlation between Spin Centers in Multicenter Transition Metal Complexes.

Chu S, Bovi D, Cappelluti F, Orellana AG, Martin H, Guidoni L. Chu S, et al. Among authors: guidoni l. J Chem Theory Comput. 2017 Oct 10;13(10):4675-4683. doi: 10.1021/acs.jctc.7b00316. Epub 2017 Sep 8. J Chem Theory Comput. 2017. PMID: 28763210

5

Complexation of halide ions to tyrosine: role of non-covalent interactions evidenced by IRMPD spectroscopy.

Corinti D , Gregori B , Guidoni L , Scuderi D , McMahon TB , Chiavarino B , Fornarini S , Crestoni ME . Corinti D , et al. Among authors: guidoni l. Phys Chem Chem Phys. 2018 Feb 7;20(6):4429-4441. doi: 10.1039/c7cp06657k. Phys Chem Chem Phys. 2018. PMID: 29372198

6

Spin-symmetrised structures and vibrational frequencies of iron-sulfur clusters.

Cappelluti F , Bencivenni L , Guidoni L . Cappelluti F , et al. Among authors: guidoni l. Phys Chem Chem Phys. 2020 Aug 7;22(29):16655-16664. doi: 10.1039/d0cp01591a. Epub 2020 Jul 15. Phys Chem Chem Phys. 2020. PMID: 32667376

7

Environmental effects on vibrational properties of carotenoids: experiments and calculations on peridinin.

Bovi D, Mezzetti A, Vuilleumier R, Gaigeot MP, Chazallon B, Spezia R, Guidoni L. Bovi D, et al. Among authors: guidoni l. Phys Chem Chem Phys. 2011 Dec 21;13(47):20954-64. doi: 10.1039/c1cp21985e. Epub 2011 Sep 23. Phys Chem Chem Phys. 2011. PMID: 21946923

8

Magnetic coupling constants and vibrational frequencies by extended broken symmetry approach with hybrid functionals.

Bovi D, Guidoni L. Bovi D, et al. Among authors: guidoni l. J Chem Phys. 2012 Sep 21;137(11):114107. doi: 10.1063/1.4752398. J Chem Phys. 2012. PMID: 22998249

9

Reaction pathways by quantum Monte Carlo: insight on the torsion barrier of 1,3-butadiene, and the conrotatory ring opening of cyclobutene.

Barborini M, Guidoni L. Barborini M, et al. Among authors: guidoni l. J Chem Phys. 2012 Dec 14;137(22):224309. doi: 10.1063/1.4769791. J Chem Phys. 2012. PMID: 23249005 Free PMC article.

10

Properties of reactive oxygen species by quantum Monte Carlo.

Zen A, Trout BL, Guidoni L. Zen A, et al. Among authors: guidoni l. J Chem Phys. 2014 Jul 7;141(1):014305. doi: 10.1063/1.4885144. J Chem Phys. 2014. PMID: 25005287

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