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

Publications

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 View at source

  • 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 View at source

  • 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 View at source

  • 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 View at source

  • 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 View at source

  • 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 View at source

  • 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
... View more Collapse

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

10.1039/c6cp00763e View at source

  • 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 View at source

  • 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 View at source

  • 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
... View more Collapse

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

10.1039/d2cp05540f

  • ISSN 14639076
  • iMarina

This researcher has no books.

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 View at source

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 View at source

This researcher has no conferences.

This researcher has no working papers.

This researcher has no technical reports.

This researcher has no research projects.

This researcher has no supervised thesis.

This researcher has no patents or software licenses.

Last data update: 3/19/24 12:52 AM