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List of works by Fermín Huarte-Larrañaga

5D quantum dynamics of the H2@SWNT system: quantitative study of the rotational-translational coupling.

scientific article published in February 2015

A 3D-analysis of cluster formation and dynamics of the X(-)-benzene (X = F, Cl, Br, I) ionic dimer solvated by Ar atoms.

scientific article published on 22 March 2011

An extension of the grid empowered molecular simulator to quantum reactive scattering

scientific article published on 27 December 2011

Benzene-hydrogen bond (C6H6-HX) interactions: the influence of the X nature on their strength and anisotropy

scientific article

Calculating initial-state-selected reaction probabilities from thermal flux eigenstates: A transition-state-based approach

scientific article published on 22 November 2005

Conditional Born–Oppenheimer Dynamics: Quantum Dynamics Simulations for the Model Porphine

article

Diffusion of H2 and D2 Confined in Single-Walled Carbon Nanotubes: Quantum Dynamics and Confinement Effects

scientific article published on 12 August 2016

Erratum: “State-to-state reaction probabilities within the quantum transition state framework” [J. Chem. Phys. 136, 064117 (2012)]

scientific article published on 21 November 2013

Hydrogen confined in single-wall carbon nanotubes: Anisotropy effects on ro-vibrational quantum levels

scientific article published on 01 August 2012

Quantum dynamics of H2 in a carbon nanotube: Separation of time scales and resonance enhanced tunneling.

scientific article

Resonances in the Ne + H2(+) → NeH(+) + H proton-transfer reaction.

scientific article

State-to-state reaction probabilities within the quantum transition state framework

scientific article published on 14 February 2012

The importance of an accurate CH4 vibrational partition function in full dimensionality calculations of the H+CH4→H2+CH3 reaction

scientific article published in June 2001

Thermal Rate Constants for Polyatomic Reactions: First Principles Quantum Theory

scientific article published in February 2007

Thermal rate coefficients in collinear versus bent transition state reactions: the N+N2case study

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