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List of works by Manuel F Ruiz-López

A Cost-Effective Method for Free-Energy Minimization in Complex Systems with Elaborated Ab Initio Potentials

scientific article published on 22 May 2018

A New Mechanism of Acid Rain Generation from HOSO at the Air-Water Interface

scientific article published on 09 October 2019

Computational Insights into the CH3 Cl+OH Chemical Reaction Dynamics at the Air-Water Interface.

scientific article published on 6 June 2017

Electronic Interactions in Iminophosphorane Superbase Complexes with Carbon Dioxide

scientific article published on 18 January 2018

Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy

scientific article published on 30 October 2019

Hydration Effect on Amide I Infrared Bands in Water: An Interpretation Based on an Interaction Energy Decomposition Scheme

scientific article published on 3 October 2014

Importance of Polarization and Charge Transfer Effects to Model the Infrared Spectra of Peptides in Solution

scientific article published on 29 April 2011

Photochemistry of HOSO radical in the gas phase

scientific article published on 01 September 2019

Photochemistry of SO at the Air-Water Interface: A Source of OH and HOSO Radicals

scientific article published on 21 September 2018

Reaching multi-nanosecond timescales in combined QM/MM molecular dynamics simulations through parallel horsetail sampling.

scientific article published on 17 January 2017

Reactivity of Undissociated Molecular Nitric Acid at the Air-Water Interface

scientific article published on 23 December 2020

The Aqueous Surface as an Efficient Transient Stop for the Reactivity of Gaseous NO<sub>2</sub> in Liquid Water

scientific article published on 04 December 2020

Theoretical Investigation of the Photoexcited NO2 +H2 O reaction at the Air-Water Interface and Its Atmospheric Implications

scientific article published on 24 September 2019

Vibrational Energy Relaxation of the Amide I Mode of N-Methylacetamide in D2O Studied through Born–Oppenheimer Molecular Dynamics

scientific article published on 4 June 2014

Vibrational Spectroscopy in Solution through Perturbative ab Initio Molecular Dynamics Simulations

scientific article published on 17 July 2019

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