I. García Cuesta

Grand Canonical Monte Carlo Simulations to Determine the Optimal Interlayer Distance of a Graphene Slit-Shaped Pore for Adsorption of Methane, Hydrogen and their Equimolar Mixture

L. Vega, D. Bahamon, J. Sánchez-Marín, 2021, Nanomaterials.

Calculation of excitation energies from the CC2 linear response theory using Cholesky decomposition.

Pablo Baudin, A. Sánchez de Merás, I. García Cuesta, 2014, The Journal of chemical physics.

Electronic structure of the ground and excited states of beta-carboline.

P. Lazzeretti, J. Sánchez-Marín, A. Sánchez de Merás, 2008, Chemphyschem : a European journal of chemical physics and physical chemistry.

From pentalene to dicyclopenta[b,g]naphthalene, or the change towards delocalized structures.

Sonia Coriani, Paolo Lazzeretti, P. Lazzeretti, 2006, Chemphyschem : a European journal of chemical physics and physical chemistry.

Molecular Dynamics of CH4/N2 Mixtures on a Flexible Graphene Layer: Adsorption and Selectivity Case Study

Marzio Rosi, Andrea Lombardi, Noelia Faginas-Lago, 2019, Front. Chem..

Variation of polarizability in the [4n+2] annulene series: from [22]- to [66]-annulene.

H. Koch, A. Sánchez de Merás, I. García Cuesta, 2008, Physical chemistry chemical physics : PCCP.

Flexibility in the Graphene Sheet: The Influence on Gas Adsorption from Molecular Dynamics Studies

J. Sánchez-Marín, I. García Cuesta, N. Faginas-Lago, 2019, The Journal of Physical Chemistry C.