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
Vekeman, Jelle, Bahamon, Daniel, García Cuesta, Inmaculada, Faginas-Lago, Noelia, Sánchez-Marín, José, Sánchez de Merás, Alfredo, Vega, Lourdes F.
Published in Nanomaterials (Basel, Switzerland) (28.09.2021)
Published in Nanomaterials (Basel, Switzerland) (28.09.2021)
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Journal Article
Molecular Dynamics of CH4/N2 Mixtures on a Flexible Graphene Layer: Adsorption and Selectivity Case Study
Vekeman, Jelle, Faginas-Lago, Noelia, Lombardi, Andrea, Sánchez de Merás, Alfredo, García Cuesta, Inmaculada, Rosi, Marzio
Published in Frontiers in chemistry (03.06.2019)
Published in Frontiers in chemistry (03.06.2019)
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Journal Article
Energy interactions in amyloid-like fibrils from NNQQNY
Cuesta, Inmaculada García, Sánchez de Merás, Alfredo M J
Published in Physical chemistry chemical physics : PCCP (07.03.2014)
Published in Physical chemistry chemical physics : PCCP (07.03.2014)
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Journal Article
Aromaticity of α-Oligothiophenes and Equivalent Oligothienoacenes
Cuesta, Inmaculada García, Aragó, Juan, Ortí, Enrique, Lazzeretti, Paolo
Published in Journal of chemical theory and computation (14.07.2009)
Published in Journal of chemical theory and computation (14.07.2009)
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Journal Article
Variation of polarizability in the [4n + 2] annulene series : from [22]-to [66]-annulene
GARCIA CUESTA, Inmaculada, SANCHEZ MARIN, José, BONDO PEDERSEN, Thomas, KOCH, Henrik, SANCHEZ DE MERAS, Alfredo M. J
Published in Physical chemistry chemical physics : PCCP (01.01.2008)
Published in Physical chemistry chemical physics : PCCP (01.01.2008)
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Journal Article
Electronic Structure of the Ground and Excited States of β-Carboline
Pérez Mondéjar, Vicente, García Cuesta, Inmaculada, Lazzeretti, Paolo, Sánchez-Marín, José, Sánchez de Merás, Alfredo
Published in Chemphyschem (21.04.2008)
Published in Chemphyschem (21.04.2008)
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Journal Article
Understanding the ring current effects on magnetic shielding of hydrogen and carbon nuclei in naphthalene and anthracene
Cuesta, Inmaculada Garíca, De Merás, Alfredo Sánchez, Pelloni, Stefano, Lazzeretti, Paolo
Published in Journal of computational chemistry (01.03.2009)
Published in Journal of computational chemistry (01.03.2009)
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Journal Article
Parity-Violation Energy of Biomolecules—IV: Protein Secondary Structure
Faglioni, Francesco, Cuesta, Inmaculada García
Published in Origins of life and evolution of biospheres (01.06.2011)
Published in Origins of life and evolution of biospheres (01.06.2011)
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Journal Article
A coupled cluster calculation of the spectrum of urea
Sánchez de Merás, Alfredo M.J, Cuesta, Inmaculada Garcı́a, Koch, Henrik
Published in Chemical physics letters (16.11.2001)
Published in Chemical physics letters (16.11.2001)
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Journal Article
Parity violation energy of biomolecules – III: RNA
Faglioni, Francesco, Cuesta, Inmaculada García, Lazzeretti, Paolo
Published in Chemical physics letters (04.12.2006)
Published in Chemical physics letters (04.12.2006)
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Journal Article
Molecular Dynamics of CH 4 /N 2 Mixtures on a Flexible Graphene Layer: Adsorption and Selectivity Case Study
Vekeman, Jelle, Faginas-Lago, Noelia, Lombardi, Andrea, Sánchez de Merás, Alfredo, García Cuesta, Inmaculada, Rosi, Marzio
Published in Frontiers in chemistry (2019)
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Published in Frontiers in chemistry (2019)
Journal Article