Alfredo Sánchez de Merás

Universitat de València — Spain

Physics and Astronomy · Physical Sciences

22h-index4.4kcitations75works3.02yr avg
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Research Topics

Advanced Chemical Physics Studies(58), Spectroscopy and Quantum Chemical Studies(16), Synthesis and Properties of Aromatic Compounds(14), Advanced NMR Techniques and Applications(12), Atmospheric Ozone and Climate(10)

Publications75 total

The Emergence of the Hexagonal Lattice in Two-Dimensional Wigner Fragments
The Journal of Physical Chemistry Letters·2024· 3 cited
The Emergence of the Hexagonal Lattice in Two-Dimensional Wigner Fragments
arXiv (Cornell University)·2023Open Access
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
Molecular Dynamics of CH4/N2 Mixtures on a Flexible Graphene Layer: Adsorption and Selectivity Case Study
Frontiers in Chemistry·2019· 22 citedOpen Access
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
Modelization of the $$\hbox {H}_{2}$$ H 2 adsorption on graphene and molecular dynamics simulation
Theoretical Chemistry Accounts·2017· 8 cited
MP2 Study of Physisorption of Molecular Hydrogen onto Defective Nanotubes: Cooperative Effect in Stone–Wales Defects
The Journal of Physical Chemistry A·2016· 15 cited
Multi-level coupled cluster theory
The Journal of Chemical Physics·2014· 63 cited
Calculation of excitation energies from the CC2 linear response theory using Cholesky decomposition
The Journal of Chemical Physics·2014· 13 citedOpen Access
Multi-scale theoretical investigation of molecular hydrogen adsorption over graphene: coronene as a case study
RSC Advances·2014· 45 cited
Energy interactions in amyloid-like fibrils from NNQQNY
Physical Chemistry Chemical Physics·2013· 11 cited
The <scp>D</scp>alton quantum chemistry program system
Wiley Interdisciplinary Reviews Computational Molecular Science·2013· 1.5k citedOpen Access
Tratamiento de la vía aérea en un caso de enfermedadde Madelung o lipomatosis cervical
Revista Española de Anestesiología y Reanimación·2012· 3 cited
The electronic spectrum of SiH4: Jahn-Teller Rydberg series
The Journal of Chemical Physics·2011· 6 cited
Electronic spectrum of F2CO: theoretical calculations of vertical excitation energies and intensities
Theoretical Chemistry Accounts·2011· 2 cited
Dalton, a molecular electronic structure program, Release Dalton2011
2011· 181 cited
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Frequent Co-authors

Inmaculada Garcı́a Cuesta(22), Henrik Koch(21), Thomas Bondo Pedersen(13), J. Sánchez-Marı́n(11), Paolo Lazzeretti(8), Noelia Faginas‐Lago(6), Linus Boman(5), Trygve Helgaker(5), Jelle Vekeman(5), Ove Christiansen(4), J. Pitarch‐Ruiz(4), J. Sánchez Marín(4), Sonia Coriani(3), Berta Fernández(3), Asger Halkier(3), Rika Kobayashi(3), Andrea Ligabue(3), Francesco Aquilante(3), I. Garcı́a-Cuesta(3), R. Soriano Jartı́n(3)