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Physical Chemistry Chemical Physics : PCCP|June 13, 2014
Adsorption of small mono- and poly-alcohols on rutile TiO2: a density functional theory studyGiuliano Carchini, Núria López
The Journal of Chemical Physics|May 24, 2013
On the properties of binary rutile MO2 compounds, M = Ir, Ru, Sn, and Ti: a DFT studyGerard Novell-Leruth, Giuliano Carchini, Núria López
Journal of Chemical Theory and Computation|November 20, 2015
Costless Derivation of Dispersion Coefficients for Metal SurfacesNeyvis Almora-Barrios, Giuliano Carchini, Piotr Błoński, et al.
ACS Applied Materials & Interfaces|December 15, 2015
Understanding and Tuning the Intrinsic Hydrophobicity of Rare-Earth Oxides: A DFT+U StudyGiuliano Carchini, Max García-Melchor, Zbigniew Łodziana, et al.
ACS Omega|November 30, 2020
Ab Initio Molecular Dynamics Investigation of CH<sub>4</sub>/CO<sub>2</sub> Adsorption on Calcite: Improving the Enhanced Gas Recovery ProcessGiuliano Carchini, Mohammed J Al-Marri, Ibnelwaleed A Hussein, et al.
RSC Advances|May 2, 2022
Effect of surface morphology on methane interaction with calcite: a DFT studyAbdulmujeeb T Onawole, Ibnelwaleed A Hussein, Giuliano Carchini, et al.
ACS Omega|December 11, 2023
Hydrogen Underground Storage in Silica-Clay Shales: Experimental and Density Functional Theory InvestigationAlankaa Al-Harbi, Mohammed Al-Marri, Giuliano Carchini, et al.
The Journal of Physical Chemistry. B|September 8, 2011
Analysis of infrared spectra of β-hairpin peptides as derived from molecular dynamics simulationsLaura Zanetti Polzi, Isabella Daidone, Massimiliano Anselmi, et al.
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