J. Sánchez-Marı́n

Universitat de València — Spain

Physics and Astronomy · Physical Sciences

22h-index1.4kcitations108works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(72), Spectroscopy and Quantum Chemical Studies(21), Atmospheric Ozone and Climate(21), Atmospheric chemistry and aerosols(12), Photochemistry and Electron Transfer Studies(12)

Publications107 total

Development of accurate potentials for the physisorption of water on graphene
The Journal of Chemical Physics·2022· 2 citedOpen Access
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
Nanomaterials·2021· 9 citedOpen Access
Flexibility in the Graphene Sheet: The Influence on Gas Adsorption from Molecular Dynamics Studies
The Journal of Physical Chemistry C·2019· 20 cited
Modeling the Interaction of Carbon Monoxide with Flexible Graphene: From Coupled Cluster Calculations to Molecular‐Dynamics Simulations
ChemPhysChem·2018· 25 cited
Nitrogen Gas on Graphene: Pairwise Interaction Potentials
Lecture notes in computer science·2018· 5 citedOpen Access
Potential models for the simulation of methane adsorption on graphene: development and CCSD(T) benchmarks
Physical Chemistry Chemical Physics·2018· 27 citedOpen Access
Bending Carbon Nanoforms for Supramolecular Recognition: A Topological Study on Hemifullerene-Based Aggregates
The Journal of Physical Chemistry A·2017· 6 citedOpen Access
Modelization of the $$\hbox {H}_{2}$$ H 2 adsorption on graphene and molecular dynamics simulation
Theoretical Chemistry Accounts·2017· 8 cited
Multi-scale theoretical investigation of molecular hydrogen adsorption over graphene: coronene as a case study
RSC Advances·2014· 45 cited
Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model
Journal of Computational Chemistry·2013· 23 cited
Coupled-Cluster study of ‘no-pair’ bonding in the tetrahedral Cu4 cluster
Chemical Physics Letters·2011· 12 cited
Electronic spectrum of F2CO: theoretical calculations of vertical excitation energies and intensities
Theoretical Chemistry Accounts·2011· 2 cited
A theoretical study of the rotational structure of the ϵ(0,0) band of NO
International Journal of Quantum Chemistry·2009· 1 cited
Rydberg, valence and mixed states in the vertical spectrum of HF
Chemical Physics Letters·2009· 2 cited
High‐spin states in tetrahedral X<sub>4</sub> clusters (X = H, Li, Na, K)
International Journal of Quantum Chemistry·2009· 5 cited
Theoretical study of the discrete and continuum spectrum of BeH
Chemical Physics Letters·2008· 6 cited
Full configuration interaction calculation of BeH adiabatic states
The Journal of Chemical Physics·2008· 34 citedOpen Access
Erratum: “Density-functional and electron correlated study of five linear birefringences—Kerr, Cotton–Mouton, Buckingham, Jones and magnetoelectric—in gaseous benzene” [J. Chem. Phys. 121, 8814 (2004)]; “Density-functional study of electric and magnetic properties of hexafluorobenzene in the vapor phase” [J. Chem. Phys. 122, 234314 (2005)]; and “A computational study of some electric and magnetic properties of gaseous BF3 and BCl3” [J. Chem. Phys. 123, 114307 (2005)]
The Journal of Chemical Physics·2008· 8 cited
Electronic Structure of the Ground and Excited States of β‐Carboline
ChemPhysChem·2008· 2 citedOpen Access
Low-Lying Rydberg States of HCl
The Journal of Physical Chemistry A·2008· 12 cited
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Frequent Co-authors

Ignacio Nebot‐Gil(19), Francisco Torrens(13), J. Pitarch‐Ruiz(9), Daniel Maynau(8), Alfredo Sánchez de Merás(8), Enrique Ortı́(7), Jean‐Paul Malrieu(6), F. Tomás(5), A. M. Velasco(5), Noelia Faginas‐Lago(4), Inmaculada Garcı́a Cuesta(4), I. Martı́n(4), Stefano Evangelisti(4), M. Pilar Pérez-Casany(4), Jean‐Louis Heully(3), José M. Junquera‐Hernández(3), Gian Luigi Bendazzoli(3), Jelle Vekeman(3), Celestino Angeli(2), Stefano Borini(2)