Publicaciones en las que colabora con JOSE SANCHEZ MARIN (27)

2019

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

    Journal of Physical Chemistry C, Vol. 123, Núm. 46, pp. 28035-28047

2018

  1. Modeling the Interaction of Carbon Monoxide with Flexible Graphene: From Coupled Cluster Calculations to Molecular-Dynamics Simulations

    ChemPhysChem, Vol. 19, Núm. 6, pp. 774-783

  2. Nitrogen gas on graphene: Pairwise interaction potentials

    Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)

  3. Potential models for the simulation of methane adsorption on graphene: Development and CCSD(T) benchmarks

    Physical Chemistry Chemical Physics, Vol. 20, Núm. 39, pp. 25518-25530

2017

  1. Modelization of the H 2 adsorption on graphene and molecular dynamics simulation

    Theoretical Chemistry Accounts, Vol. 136, Núm. 8

2011

  1. Electronic spectrum of F2CO: Theoretical calculations of vertical excitation energies and intensities

    Theoretical Chemistry Accounts, Vol. 129, Núm. 1, pp. 53-61

  2. The electronic spectrum of SiH 4: Jahn-Teller Rydberg series

    Journal of Chemical Physics, Vol. 135, Núm. 21

2010

  1. Assessment of the CTOCD-DZ method in a hierarchy of coupled cluster methods

    Physical Chemistry Chemical Physics, Vol. 12, Núm. 23, pp. 6163-6170

2009

  1. How nitrogen modifies the nuclear magnetic shielding in tetraazanaphthalenes

    Physical Chemistry Chemical Physics, Vol. 11, Núm. 21, pp. 4278-4285

2007

  1. Excitation energies and photoabsorption oscillator strengths of the rydberg series in CF3Cl. A linear response and quantum defect study

    Journal of Physical Chemistry A, Vol. 111, Núm. 17, pp. 3321-3325

  2. Vertical excitation energies to valence states of DMS and DMSO

    Theoretical Chemistry Accounts, Vol. 118, Núm. 3, pp. 527-531