Alvaro CIMAS

Identifiants chercheurs

IdHAL :

alvaro-cimas

ORCID :

0000-0001-8095-2279

IdRef :

253127998

VIAF :

43161512237270562639

Présentation

Publications

Article dans une revue (15)

Surface Speciation of α-Al 2 O 3 (11̅02) in Contact with Liquid Water Louis Potier,Simone Pezzotti,Marie-Pierre Gaigeot,Álvaro Cimas Journal of Physical Chemistry C, 2025, 129 (12), pp.5990-6002. ⟨10.1021/acs.jpcc.4c08714⟩ Article dans une revue hal-05336374v1
Topological graphs: a review of some of our achievements and perspectives in physical chemistry and homogeneous catalysis Sana Bougueroua,Ylène Aboulfath,Alvaro Cimas,Ali Hashemi,Evgeny A. Pidkoet al. Comptes Rendus. Chimie, 2024, 27 (S5), pp.1-23. ⟨10.5802/crchim.317⟩ Article dans une revue (article de synthèse) hal-04829519v1
Time-Resolved Graphs of Polymorphic Cycles for H-Bonded Network Identification in Flexible Biomolecules Ylène Aboulfath,Dominique Barth,Sana Bougueroua,Alvaro Cimas,Marie Pierre Gaigeot Journal of Chemical Theory and Computation, 2024, 20 (3), pp.1019-1035. ⟨10.1021/acs.jctc.3c01031⟩ Article dans une revue hal-04683931v1
Salt Bridge Structure of Microhydrated Arginine Kinetically Trapped in the Gas Phase by Evaporative Cooling Andrei Zviagin,Alvaro Cimas,Marie-Pierre Gaigeot,Oleg Boyarkin Journal of Physical Chemistry A, 2023, 127 (22), pp.4832-4837. ⟨10.1021/acs.jpca.3c02023⟩ Article dans une revue hal-04233014v1
Conformational Behavior of d -Lyxose in Gas and Solution Phases by Rotational and NMR Spectroscopies Camilla Calabrese,Patricia Écija,Ismael Compañón,Montserrat Vallejo-López,Alvaro Cimaset al. Journal of Physical Chemistry Letters, 2019, 10 (12), pp.3339-3345. ⟨10.1021/acs.jpclett.9b00978⟩ Article dans une revue hal-02572276v1
Stalking Higher Energy Conformers on the Potential Energy Surface of Charged Species. Vincent Brites,Alvaro Cimas,Riccardo Spezia,Nicolas Sieffert,J.T. Lisyet al. Journal of Chemical Theory and Computation, 2015, 11 (3), pp.871-883. ⟨10.1021/ct5008197⟩ Article dans une revue hal-01219481v1
Gas-Phase Peptide Structures Unraveled by Far-IR Spectroscopy: Combining IR-UV Ion-Dip Experiments with Born-Oppenheimer Molecular Dynamics Simulations Sander Jaeqx,Jos Oomens,Alvaro Cimas,Marie-Pierre Gaigeot,Anouk M. Rijs Angewandte Chemie International Edition, 2014, 53 (14), pp.3663-3666. ⟨10.1002/ANIE.201311189⟩ Article dans une revue istex hal-02112310v1
The amorphous silica-liquid water interface studied by ab initio molecular dynamics (AIMD): local organization in global disorder Alvaro Cimas,Frederik Tielens,Marialore Sulpizi,Marie-Pierre Gaigeot,Dominique Costa Journal of Physics: Condensed Matter, 2014, 26 (24), pp.244106. ⟨10.1088/0953-8984/26/24/244106⟩ Article dans une revue hal-01275064v1
O–H anharmonic vibrational motions in Cl&lt;sup&gt;−&lt;/sup&gt;⋯(CH&lt;sub&gt;3&lt;/sub&gt;OH)&lt;sub&gt;1−2&lt;/sub&gt; ionic clusters. Combined IRPD experiments and AIMD simulations Jordan P. Beck,Alvaro Cimas,James M. Lisy,Marie-Pierre Gaigeot Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy [1994-..], 2014, 119, pp.12-17. ⟨10.1016/J.SAA.2013.05.073⟩ Article dans une revue hal-02112305v1
Computational study of peptide bond formation in the gas phase through ion–molecule reactions Pilar Redondo,Henar Martínez,Alvaro Cimas,Carmen Barrientos,Antonio Largo Physical Chemistry Chemical Physics, 2013, 15 (31), pp.13005-13012. ⟨10.1039/C3CP51535D⟩ Article dans une revue hal-02112575v1
Reactivity of Lanthanoid Mono-Cations with Ammonia : a Combined Inductively Coupled Plasma Mass Spectrometry and Computational Investigation Alexandre Quemet,Pierre Vitorge,Alvaro Cimas,Shengsi Liu,Jean-Yves Salpinet al. International Journal of Mass Spectrometry, 2013, 334, pp.27-37. ⟨10.1016/j.ijms.2012.10.005⟩ Article dans une revue hal-00796104v1
Collision induced dissociation of doubly-charged ions : Coulomb explosion vs neutral loss in [Ca(urea)]&lt;sup&gt;2+&lt;/sup&gt; gas phase unimolecular reactivity via chemical dynamics simulations. Riccardo Spezia,Alvaro Cimas,Marie-Pierre Gaigeot,Jean-Yves Salpin,Kihyung Songet al. Physical Chemistry Chemical Physics, 2012, 14 (33), pp.11724-11736. ⟨10.1039/C2CP41379E⟩ Article dans une revue hal-00733882v1
How can f-block mono-cations behave as Mono-Cations of d-block transition metals ? Alexandre Quemet,René Brennetot,Jean-Yves Salpin,Alvaro Cimas,Colin J. Marsdenet al. European Journal of Inorganic Chemistry, 2012, 2012 (22), pp.3551-3555. ⟨10.1002/ejic.201200455⟩ Article dans une revue hal-00760023v1
Molecular Dynamics and Room Temperature Vibrational Properties of Deprotonated Phosphorylated Serine Alvaro Cimas,Philippe Maître,Gilles Ohanessian,Marie-Pierre Gaigeot Journal of Chemical Theory and Computation, 2009, 5 (9), pp.2388-2400. ⟨10.1021/ct900179d⟩ Article dans une revue hal-00528526v1
Computational study on the kinetics of the reaction between Ca&lt;sup&gt;2+&lt;/sup&gt; and Urea Alvaro Cimas,Jose A. Gamez,Otilia Mó,Manuel Yáñez,Jean-Yves Salpin Chemical Physics Letters, 2008, 456 (4-6), pp.156-161. ⟨10.1016/j.cplett.2008.03.042⟩ Article dans une revue hal-00280969v1