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Alvaro CIMAS

12

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alvaro-cimas
IdRef : 253127998

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Publications

	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 Cimas 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. Lisy 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 hal-02112310v1
	O–H anharmonic vibrational motions in Cl⁻⋯(CH₃OH)₁₋₂ 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
	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
	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 Salpin International Journal of Mass Spectrometry, 2013, 334, pp.27-37. ⟨10.1016/j.ijms.2012.10.005⟩ Article dans une revue hal-00796104v1
	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
	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. Marsden European Journal of Inorganic Chemistry, 2012, 2012 (22), pp.3551-3555. ⟨10.1002/ejic.201200455⟩ Article dans une revue hal-00760023v1
	Collision induced dissociation of doubly-charged ions : Coulomb explosion vs neutral loss in [Ca(urea)]²⁺ gas phase unimolecular reactivity via chemical dynamics simulations. Riccardo Spezia , Alvaro Cimas , Marie-Pierre Gaigeot , Jean-Yves Salpin , Kihyung Song Physical Chemistry Chemical Physics, 2012, 14 (33), pp.11724-11736. ⟨10.1039/C2CP41379E⟩ Article dans une revue hal-00733882v1
	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 Ca²⁺ 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