Lista de obras -

Ab Initio Potential Energy Surfaces of C3 Collision with Proton and Quantum Dynamics of Rotational Transition

artículo científico publicado en 2018

Benchmarking PES‐Learn's machine learning models predicting accurate potential energy surface for quantum scattering

artículo científico publicado en 2022

Computational study of hydrogen storage in organometallic compounds

scientific article published on 01 March 2007

Effect of Co doping on catalytic activity of small Pt clusters

artículo científico publicado en 2008

Elastic and charge transfer processes in H+ + CO collisions

scientific article published on 01 January 2006

Electronic Structure Calculations of Hydrogen Storage in Lithium-Decorated Metal-Graphyne Framework

artículo científico publicado en 2017

Environmentally Friendly, Co-catalyst-Free Chemical Fixation of CO2 at Mild Conditions Using Dual-Walled Nitrogen-Rich Three-Dimensional Porous Metal-Organic Frameworks

artículo científico publicado en 2019

Hydrogen multicenter bonds and reversible hydrogen storage

artículo científico publicado en 2009

Hydrogen sorption efficiency of titanium decorated calix[4]pyrroles.

artículo científico publicado en 2017

Low energy H+CO scattering revisited CO rotational excitation with new potential surfaces

artículo científico publicado en 2007

Low-energy rotational inelastic collisions of H(+) + CO system

artículo científico publicado en 2012

Quantum Scattering Calculations for Rotational Excitations of C3 by Hydrogen Atom: Potential Energy Surfaces and Rate Coefficients

artículo científico publicado en 2019

Quantum dynamics study of rotational transitions of NCCN induced by He collision

scientific article published on 01 November 2018

Rational Design of a 3D MnII -Metal-Organic Framework Based on a Nonmetallated Porphyrin Linker for Selective Capture of CO2 and One-Pot Synthesis of Styrene Carbonates

scientific article published on 17 October 2018

Signatures of non-trivial band topology in LaAs/LaBi heterostructure

artículo científico publicado en 2020

Structural, energetic, and electronic properties of hydrogenated titanium clusters