Alvaro Cimas

Evry, 91025, France

Last Updated: 09/26/2026

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Found 12 publications

The surface in silico: general discussion.

The surface in silico: general discussion.

Journal: Faraday discussions

Published: July 31, 2026

Reflection on the horizontal and vertical organization of water at oxide interfaces and their SFG vibrational signatures.

Reflection on the horizontal and vertical organization of water at oxide interfaces and their SFG vibrational signatures.

Journal: Faraday discussions

Published: April 21, 2026

Time-Resolved Graphs of Polymorphic Cycles for H-Bonded Network Identification in Flexible Biomolecules.

Time-Resolved Graphs of Polymorphic Cycles for H-Bonded Network Identification in Flexible Biomolecules.

Journal: Journal of chemical theory and computation

Published: January 18, 2024

Salt Bridge Structure of Microhydrated Arginine Kinetically Trapped in the Gas Phase by Evaporative Cooling.

Salt Bridge Structure of Microhydrated Arginine Kinetically Trapped in the Gas Phase by Evaporative Cooling.

Journal: The journal of physical chemistry. A

Published: May 23, 2023

Conformational Behavior of d-Lyxose in Gas and Solution Phases by Rotational and NMR Spectroscopies.

Conformational Behavior of d-Lyxose in Gas and Solution Phases by Rotational and NMR Spectroscopies.

Journal: The journal of physical chemistry letters

Published: May 30, 2019

Stalking Higher Energy Conformers on the Potential Energy Surface of Charged Species.

Stalking Higher Energy Conformers on the Potential Energy Surface of Charged Species.

Journal: Journal of chemical theory and computation

Published: November 19, 2015

Gas-phase peptide structures unraveled by far-IR spectroscopy: combining IR-UV ion-dip experiments with Born-Oppenheimer molecular dynamics simulations.

Gas-phase peptide structures unraveled by far-IR spectroscopy: combining IR-UV ion-dip experiments with Born-Oppenheimer molecular dynamics simulations.

Journal: Angewandte Chemie (International ed. in English)

Published: December 24, 2013

Computational study of peptide bond formation in the gas phase through ion-molecule reactions.

Computational study of peptide bond formation in the gas phase through ion-molecule reactions.

Journal: Physical chemistry chemical physics : PCCP

Published: July 03, 2013

Six pyranoside forms of free 2-deoxy-D-ribose.

Six pyranoside forms of free 2-deoxy-D-ribose.

Journal: Angewandte Chemie (International ed. in English)

Published: June 28, 2013

O-H anharmonic vibrational motions in Cl(-)···(CH3OH)(1-2) ionic clusters. Combined IRPD experiments and AIMD simulations.

O-H anharmonic vibrational motions in Cl(-)···(CH3OH)(1-2) ionic clusters. Combined IRPD experiments and AIMD simulations.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Published: March 01, 2013

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

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

Journal: Physical chemistry chemical physics : PCCP

Published: July 26, 2012

Computational study of the reaction of P+ with acetylene: does spin-crossing play a significant role?

Computational study of the reaction of P+ with acetylene: does spin-crossing play a significant role?

Journal: The journal of physical chemistry. A

Published: February 23, 2012

Showing 1-12 of 12

Last Updated: 09/26/2026