Spezia R - Search Results

1

Role of Chemical Dynamics Simulations in Mass Spectrometry Studies of Collision-Induced Dissociation and Collisions of Biological Ions with Organic Surfaces.

Martin Somer A, Macaluso V, Barnes GL, Yang L, Pratihar S, Song K, Hase WL, Spezia R. Martin Somer A, et al. Among authors: spezia r. J Am Soc Mass Spectrom. 2020 Jan 2;31(1):2-24. doi: 10.1021/jasms.9b00062. Epub 2019 Dec 10. J Am Soc Mass Spectrom. 2020. PMID: 32881516

2

Structures and fragmentations of cobalt(II)-cysteine complexes in the gas phase.

Buchmann W, Spezia R, Tournois G, Cartailler T, Tortajada J. Buchmann W, et al. Among authors: spezia r. J Mass Spectrom. 2007 Apr;42(4):517-26. doi: 10.1002/jms.1183. J Mass Spectrom. 2007. PMID: 17323419

3

Protonated urea collision-induced dissociation. Comparison of experiments and chemical dynamics simulations.

Spezia R, Salpin JY, Gaigeot MP, Hase WL, Song K. Spezia R, et al. J Phys Chem A. 2009 Dec 17;113(50):13853-62. doi: 10.1021/jp906482v. J Phys Chem A. 2009. PMID: 19886650 Free article.

4

Collision induced dissociation of doubly-charged ions: Coulomb explosion vs. neutral loss in [Ca(urea)]2+ gas phase unimolecular reactivity via chemical dynamics simulations.

Spezia R, Cimas A, Gaigeot MP, Salpin JY, Song K, Hase WL. Spezia R, et al. Phys Chem Chem Phys. 2012 Sep 7;14(33):11724-36. doi: 10.1039/c2cp41379e. Epub 2012 Jul 24. Phys Chem Chem Phys. 2012. PMID: 22828785

5

A RRKM study and a DFT assessment on gas-phase fragmentation of formamide-M(2+) (M = Ca, Sr).

Martín-Sómer A, Gaigeot MP, Yáñez M, Spezia R. Martín-Sómer A, et al. Among authors: spezia r. Phys Chem Chem Phys. 2014 Jul 28;16(28):14813-25. doi: 10.1039/c4cp01756k. Phys Chem Chem Phys. 2014. PMID: 24921953

6

Unimolecular fragmentation induced by low-energy collision: statistically or dynamically driven?

Martín-Sómer A, Yáñez M, Gaigeot MP, Spezia R. Martín-Sómer A, et al. Among authors: spezia r. J Phys Chem A. 2014 Nov 20;118(46):10882-93. doi: 10.1021/jp5076059. Epub 2014 Nov 5. J Phys Chem A. 2014. PMID: 25333680

7

Solvent Structure around Lanthanoid(III) Ions in Liquid DMSO As Revealed by Polarizable Molecular Dynamics Simulations.

Bodo E, Macaluso V, Spezia R. Bodo E, et al. Among authors: spezia r. J Phys Chem B. 2015 Oct 22;119(42):13347-57. doi: 10.1021/acs.jpcb.5b06317. Epub 2015 Oct 12. J Phys Chem B. 2015. PMID: 26430960

8

Elucidating collision induced dissociation products and reaction mechanisms of protonated uracil by coupling chemical dynamics simulations with tandem mass spectrometry experiments.

Molina ER, Ortiz D, Salpin JY, Spezia R. Molina ER, et al. Among authors: spezia r. J Mass Spectrom. 2015 Dec;50(12):1340-51. doi: 10.1002/jms.3704. J Mass Spectrom. 2015. PMID: 26634967

9

Post-Transition State Dynamics in Gas Phase Reactivity: Importance of Bifurcations and Rotational Activation.

Martín-Sómer A, Yáñez M, Hase WL, Gaigeot MP, Spezia R. Martín-Sómer A, et al. Among authors: spezia r. J Chem Theory Comput. 2016 Mar 8;12(3):974-82. doi: 10.1021/acs.jctc.5b01135. Epub 2016 Feb 10. J Chem Theory Comput. 2016. PMID: 26820235

10

Model Simulations of the Thermal Dissociation of the TIK(H⁺)₂ Tripeptide: Mechanisms and Kinetic Parameters.

Homayoon Z, Pratihar S, Dratz E, Snider R, Spezia R, Barnes GL, Macaluso V, Martin Somer A, Hase WL. Homayoon Z, et al. Among authors: spezia r. J Phys Chem A. 2016 Oct 27;120(42):8211-8227. doi: 10.1021/acs.jpca.6b05884. Epub 2016 Oct 13. J Phys Chem A. 2016. PMID: 27673376

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