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List of works by Joao B. L. Martins

A detailed reactive cross section study of X + Li2 → Li + LiX, with X = H, D, T, and Mu.

scientific article

Analysis of lowest energy transitions at TD-DFT of pyrene in vacuum and solvent

scientific article published on 07 June 2019

BTEX adsorption on TiO2 anatase and rutile surfaces: DFT functionals

scientific article published on 27 April 2019

Binding Analysis of Some Classical Acetylcholinesterase Inhibitors: Insights for a Rational Design Using Free Energy Perturbation Method Calculations with QM/MM MD Simulations.

scientific article published on 13 April 2017

CO2 adsorption on polar surfaces of ZnO ⬇️

scientific article published on October 24, 2012

Electronic and structural properties of the (1010) and (1120) ZnO surfaces

scientific article published on 02 July 2008

Electronic structure and PCA analysis of covalent and non-covalent acetylcholinesterase inhibitors.

scientific article published on 14 September 2010

Modified Density Functional Dispersion Correction for Inorganic Layered MFX Compounds (M = Ca, Sr, Ba, Pb and X = Cl, Br, I)

scientific article published on 13 February 2020

New potential AChE inhibitor candidates.

scientific article published on 16 April 2009

Relativistic four-component potential energy curves for the lowest 23 covalent states of molecular bromine (Br2)

scientific article published on 19 May 2014

Rovibrational energies and spectroscopic constants for H2O-Ng complexes.

scientific article published on 26 November 2014

Rovibrational energy and spectroscopic constant calculations of CH4⋯CH4, CH4⋯H2O, CH4⋯CHF3, and H2O⋯CHF3 dimers

scientific article published on 18 June 2014

Structure and electronic properties of azadirachtin

scientific article published on 9 February 2014

The H + Li2 bimolecular exchange reaction: dynamical and kinetical properties at J = 0

scientific article published on 01 April 2012

Vibrational and electronic structure analysis of a carbon dioxide interaction with functionalized single-walled carbon nanotubes.

scientific article published on 5 March 2013

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