Martin-Somer A - Search Results

1

Unimolecular Fragmentation of Deprotonated Diproline [Pro₂-H]^- Studied by Chemical Dynamics Simulations and IRMPD Spectroscopy.

Martin-Somer A, Martens J, Grzetic J, Hase WL, Oomens J, Spezia R. Martin-Somer A, et al. J Phys Chem A. 2018 Mar 15;122(10):2612-2625. doi: 10.1021/acs.jpca.7b11873. Epub 2018 Feb 28. J Phys Chem A. 2018. PMID: 29451797

2

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. 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

3

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. 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

4

Chemical dynamics simulations of CID of peptide ions: comparisons between TIK(H⁺)₂ and TLK(H⁺)₂ fragmentation dynamics, and with thermal simulations.

Homayoon Z , Macaluso V , Martin-Somer A , Muniz MCNB , Borges I , Hase WL , Spezia R . Homayoon Z , et al. Among authors: martin somer a. Phys Chem Chem Phys. 2018 Jan 31;20(5):3614-3629. doi: 10.1039/c7cp06818b. Phys Chem Chem Phys. 2018. PMID: 29340378

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. Phys Chem Chem Phys. 2014 Jul 28;16(28):14813-25. doi: 10.1039/c4cp01756k. Phys Chem Chem Phys. 2014. PMID: 24921953

6

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. 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

7

Unimolecular dissociation of peptides: statistical vs. non-statistical fragmentation mechanisms and time scales.

Spezia R, Martin-Somer A, Macaluso V, Homayoon Z, Pratihar S, Hase WL. Spezia R, et al. Faraday Discuss. 2016 Dec 22;195:599-618. doi: 10.1039/c6fd00126b. Faraday Discuss. 2016. PMID: 27711796

8

Gas-phase reactivity of [Ca(formamide)]²⁺ complex: an example of different dynamical behaviours.

Martin-Somer A, Spezia R, Yáñez M. Martin-Somer A, et al. Philos Trans A Math Phys Eng Sci. 2017 Apr 28;375(2092):20160196. doi: 10.1098/rsta.2016.0196. Philos Trans A Math Phys Eng Sci. 2017. PMID: 28320901 Free PMC article.

9

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. 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

10

Unexpected acidity enhancement triggered by AlH3 association to phosphines.

Martín-Sómer A, Lamsabhi AM, Mó O, Yáñez M. Martín-Sómer A, et al. J Phys Chem A. 2012 Jun 28;116(25):6950-4. doi: 10.1021/jp304186m. Epub 2012 Jun 8. J Phys Chem A. 2012. PMID: 22630168

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