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Ana Martín-Sómer
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Model Simulations of the Thermal Dissociation of the TIK(H+)2 Tripeptide: Mechanisms and Kinetic Parameters
Z Homayoon, S Pratihar, E Dratz, R Snider, R Spezia, GL Barnes, ...
The Journal of Physical Chemistry A 120 (42), 8211-8227, 2016
422016
Role of chemical dynamics simulations in mass spectrometry studies of collision-induced dissociation and collisions of biological ions with organic surfaces
A Martin Somer, V Macaluso, GL Barnes, L Yang, S Pratihar, K Song, ...
Journal of the American Society for Mass Spectrometry 31 (1), 2-24, 2019
382019
2‐Hydroxybenzophenone as a Chemical Auxiliary for the Activation of Ketiminoesters for Highly Enantioselective Addition to Nitroalkenes under Bifunctional Catalysis
A Guerrero‐Corella, F Esteban, M Iniesta, A Martín‐Somer, M Parra, ...
Angewandte Chemie 130 (19), 5448-5452, 2018
362018
Unimolecular fragmentation induced by low-energy collision: statistically or dynamically driven?
A Martin-Somer, M Yanez, MP Gaigeot, R Spezia
The Journal of Physical Chemistry A 118 (46), 10882-10893, 2014
362014
The importance of deformation on the strength of beryllium bonds
A Martin-Somer, AM Lamsabhi, O Mo, M Yanez
Computational and Theoretical Chemistry 998, 74-79, 2012
342012
Unimolecular dissociation of peptides: statistical vs. non-statistical fragmentation mechanisms and time scales
R Spezia, A Martin-Somer, V Macaluso, Z Homayoon, S Pratihar, ...
Faraday Discussions 195, 599-618, 2016
332016
Post-transition state dynamics in gas phase reactivity: importance of bifurcations and rotational activation
A Martín-Sómer, M Yáńez, WL Hase, MP Gaigeot, R Spezia
Journal of Chemical Theory and Computation 12 (3), 974-982, 2016
292016
Can an amine be a stronger acid than a carboxylic acid? The surprisingly high acidity of amine–borane complexes
A Martín‐Sómer, AM Lamsabhi, M Yáńez, JZ Dávalos, J González, ...
Chemistry–A European Journal 18 (49), 15699-15705, 2012
252012
Unimolecular Fragmentation of Deprotonated Diproline [Pro2-H] Studied by Chemical Dynamics Simulations and IRMPD Spectroscopy
A Martin-Somer, J Martens, J Grzetic, WL Hase, J Oomens, R Spezia
The Journal of Physical Chemistry A 122 (10), 2612-2625, 2018
232018
Chemical dynamics simulations of CID of peptide ions: comparisons between TIK (H+) 2 and TLK (H+) 2 fragmentation dynamics, and with thermal simulations
Z Homayoon, V Macaluso, A Martin-Somer, MCNB Muniz, I Borges, ...
Physical Chemistry Chemical Physics 20 (5), 3614-3629, 2018
232018
BODIPY as electron withdrawing group for the activation of double bonds in asymmetric cycloaddition reactions
A Guerrero-Corella, J Asenjo-Pascual, TJ Pawar, S Díaz-Tendero, ...
Chemical Science 10 (15), 4346-4351, 2019
222019
Enhancing Visible-Light Photocatalysis via Endohedral Functionalization of Single-Walled Carbon Nanotubes with Organic Dyes
D Gonzalez-Munoz, A Martin-Somer, K Strobl, S Cabrera, PJ De Pablo, ...
ACS Applied Materials & Interfaces 13 (21), 24877-24886, 2021
202021
Acidity enhancement of unsaturated bases of group 15 by association with borane and beryllium dihydride. Unexpected boron and beryllium Brřnsted acids
A Martín-Sómer, O Mó, M Yáńez, JC Guillemin
Dalton Transactions 44 (3), 1193-1202, 2015
172015
Unexpected Acidity Enhancement Triggered by AlH3 Association to Phosphines
A Martin-Somer, AM Lamsabhi, O Mo, M Yanez
The Journal of Physical Chemistry A 116 (25), 6950-6954, 2012
152012
Some interesting features of non-covalent interactions
A Martín-Sómer, MM Montero-Campillo, O Mó, M Yáńez, I Alkorta, ...
Croatica Chemica Acta 87 (4), 291-306, 2014
142014
A RRKM study and a DFT assessment on gas-phase fragmentation of formamide–M 2+(M= Ca, Sr)
A Martín-Sómer, MP Gaigeot, M Yáńez, R Spezia
Physical Chemistry Chemical Physics 16 (28), 14813-14825, 2014
132014
Gas-phase reactivity of [Ca(formamide)]2+ complex: an example of different dynamical behaviours
A Martin-Somer, R Spezia, M Yáńez
Philosophical Transactions of the Royal Society A: Mathematical, Physical …, 2017
122017
Intramolecular hydrogen-bond activation for the addition of nucleophilic imines: 2-hydroxybenzophenone as a chemical auxiliary
H Choubane, AF Garrido-Castro, C Alvarado, A Martín-Somer, ...
Chemical communications 54 (27), 3399-3402, 2018
112018
Boron Dipyrromethene (BODIPY) as Electron‐Withdrawing Group in Asymmetric Copper‐Catalyzed [3+ 2] Cycloadditions for the Synthesis of Pyrrolidine‐Based Biological Sensors
T Rigotti, J Asenjo‐Pascual, A Martín‐Somer, P Milán Rois, M Cordani, ...
Advanced Synthesis & Catalysis 362 (6), 1345-1355, 2020
102020
Computational design of a tetrapericyclic cycloaddition and the nature of potential energy surfaces with multiple bifurcations
A Martin-Somer, XS Xue, CS Jamieson, Y Zou, KN Houk
Journal of the American Chemical Society 145 (7), 4221-4230, 2023
82023
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