Guevara Vela, Jose Manuel jose.guevara@uam.es

Actividades

Computation of photovoltaic and stability properties of hybrid organic-inorganic perovskites via convolutional neural networks

  • Aristizabal-Ferreira, VA
  • Guevara-Vela, JM
  • Sauza-de la Vega, A
  • Pendas, AM
  • Fuentes-Pineda, G
  • Rocha-Rinza, T

Theoretical Chemistry Accounts - 1/4/2022

10.1007/s00214-022-02875-9 Ver en origen

  • ISSN 1432881X

DFT performance in the IQA energy partition of small water clusters

  • Jimenez-Gravalos, F
  • Casals-Sainz, JL
  • Francisco, E
  • Rocha-Rinza, T
  • Pendas, AM
  • Guevara-Vela, JM

Theoretical Chemistry Accounts - 1/1/2020

10.1007/s00214-019-2514-2 Ver en origen

  • ISSN 1432881X

Performance of the RI and RIJCOSX approximations in the topological analysis of the electron density

  • Guevara-Vela, JM
  • Rocha-Rinza, T
  • Pendas, AM

Theoretical Chemistry Accounts - 1/5/2017

10.1007/s00214-017-2084-0 Ver en origen

  • ISSN 1432881X

Understanding the effect of mechanical strains on the catalytic activity of transition metals

  • Martinez-Alonso, Carmen
  • Manuel Guevara-Vela, Jose
  • LLorca, Javier;

Physical Chemistry Chemical Physics (p. 4832-4842) - 1/1/2022

10.1039/d1cp05436h Ver en origen

  • ISSN 14639076

The nature of resonance-assisted hydrogen bonds: a quantum chemical topology perspective

  • Guevara-Vela, JM
  • Romero-Montalvo, E
  • Costales, A
  • Pendas, AM
  • Rocha-Rinza, T

Physical Chemistry Chemical Physics (p. 26383-26390) - 1/1/2016

10.1039/c6cp04386k Ver en origen

  • ISSN 14639076

An unexpected bridge between chemical bonding indicators and electrical conductivity through the localization tensor

  • Pendas, AM
  • Guevara-Vela, JM
  • Crespo, DM
  • Costales, A
  • Francisco, E

Physical Chemistry Chemical Physics (p. 1790-1797) - 1/1/2017

10.1039/c6cp07617c Ver en origen

  • ISSN 14639076

Hydrogen bond cooperativity and anticooperativity within the water hexamer

  • Guevara-Vela, JM
  • Romero-Montalvo, E
  • Gomez, VAM
  • Chavez-Calvillo, R
  • Garcia-Revilla, M
  • Francisco, E
  • Pendas, AM
  • Rocha-Rinza, T
... Ver más Contraer

Physical Chemistry Chemical Physics (p. 19557-19566) - 1/1/2016

10.1039/c6cp00763e Ver en origen

  • ISSN 14639076

Cooperative and anticooperative effects in resonance assisted hydrogen bonds in merged structures of malondialdehyde

  • Romero-Montalvo, E
  • Guevara-Vela, JM
  • Costales, A
  • Pendas, AM
  • Rocha-Rinza, T

Physical Chemistry Chemical Physics (p. 97-107) - 7/1/2017

10.1039/c6cp04877c Ver en origen

  • ISSN 14639076

The effect of elastic strains on the adsorption energy of H, O, and OH in transition metals

  • Martinez-Alonso, Carmen
  • Manuel Guevara-Vela, Jose
  • LLorca, Javier;

Physical Chemistry Chemical Physics (p. 21295-21306) - 1/1/2021

10.1039/d1cp03312c Ver en origen

  • ISSN 14639076

Atoms in molecules in real space: a fertile field for chemical bonding

  • Martín Pendás Á
  • Francisco E
  • Suárez D
  • Costales A
  • Díaz N
  • Munárriz J
  • Rocha-Rinza T
  • Guevara-Vela JM
... Ver más Contraer

Physical Chemistry Chemical Physics (p. 10231-10262) - 15/3/2023

10.1039/d2cp05540f

  • ISSN 14639076
  • iMarina

Este/a investigador/a no tiene libros.

Applications of the quantum theory of atoms in molecules and the interacting quantum atoms methods to the study of hydrogen bonds

  • Guevara-Vela JM
  • Fernández-Alarcón A
  • Rocha-Rinza T

Advances In Quantum Chemical Topology Beyond Qtaim (p. 431-468) - 1/1/2022

10.1016/b978-0-323-90891-7.00010-4 Ver en origen

Emergent Scalar and Vector Fields in Quantum Chemical Topology

  • Pendas, AM
  • Francisco, E
  • Bueno, AG
  • Vela, JMG
  • Costales, A

APPLICATIONS OF TOPOLOGICAL METHODS IN MOLECULAR CHEMISTRY (p. 131-150) - 1/1/2016

10.1007/978-3-319-29022-5_6 Ver en origen

Este/a investigador/a no tiene congresos.

Este/a investigador/a no tiene documentos de trabajo.

Este/a investigador/a no tiene informes técnicos.

Este/a investigador/a no tiene proyectos de investigación.

Este/a investigador/a no tiene tesis dirigidas.

Este/a investigador/a no tiene patentes o licencias de software.

Última actualización de los datos: 19/03/24 0:52