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

Química física aplicada / Universidad Autónoma de Madrid

Actividades

Wave function analyses of scandium-doped aluminium clusters, AlnSc (n = 1-24), and their CO2 fixation abilities

  • Guevara-Vela JM
  • la Vega AS
  • Gallegos M
  • Martín Pendás Á
  • Rocha-Rinza T

Physical Chemistry Chemical Physics (p. 18854-18865) - 19/7/2023

10.1039/d3cp01730c

  • ISSN 14639076
  • iMarina

Accurate prediction of the solid-state region of the Ni-Al phase diagram including configurational and vibrational entropy and magnetic effects

  • Shao, W
  • Guevara-Vela, JM
  • Fernández-Caballero, A
  • Liu, S
  • LLorca, J

Acta Materialia - 1/7/2023

10.1016/j.actamat.2023.118962 Ver en origen

  • ISSN 13596454

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

Continuous intercalation compound fibers of bromine wires and aligned CNTs for high-performance conductors

  • Madrona, C
  • Hong, SK
  • Lee, D
  • Garcia-Perez, J
  • Guevara-Vela, JM
  • Gavito, RB
  • Mikhalchan, A
  • Llorca, J
  • Ku, BC
  • Granados, D
  • Hwang, JY
  • Vilatela, JJ
... Ver más Contraer

Carbon (p. 211-218) - 1/1/2023

10.1016/j.carbon.2022.12.041 Ver en origen

  • ISSN 00086223

A QCT View of the Interplay between Hydrogen Bonds and Aromaticity in Small CHON Derivatives

  • Gallegos M
  • Barrena-Espés D
  • Guevara-Vela JM
  • Rocha-Rinza T
  • Pendás ÁM

MOLECULES - 1/9/2022

10.3390/molecules27186039 Ver en origen

  • ISSN 14203049

Partition of the electronic energy of the PM7 method via the interacting quantum atoms approach

  • Salazar-Lozas H
  • Guevara-Vela JM
  • Pendás ÁM
  • Francisco E
  • Rocha-Rinza T

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (p. 19521-19530) - 3/8/2022

10.1039/d2cp02013k Ver en origen

  • ISSN 14639076

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

Front Cover: Binding Energy Partition of Promising IRAK?4 Inhibitor (Zimlovisertib) for the Treatment of COVID?19 Pneumonia (ChemPhysChem 24/2022)

  • Zapata?Acevedo, César A.
  • Guevara?Vela, José Manuel
  • Popelier, Paul LA.
  • Rocha?Rinza, Tomás

Chemphyschem - 17/12/2022

10.1002/cphc.202200856 Ver en origen

  • ISSN 14394235

Binding Energy Partition of Promising IRAK-4 Inhibitor (Zimlovisertib) for the Treatment of COVID-19 Pneumonia

  • Zapata-Acevedo CA, Guevara-Vela JM, Popelier PLA, Rocha-Rinza T

Chemphyschem - 16/12/2022

10.1002/cphc.202200855 Ver en origen

  • ISSN 14394235

Stronger-together: the cooperativity of aurophilic interactions

  • Guevara-Vela, JM
  • Hess, K
  • Rocha-Rinza, T
  • Pendas, AM
  • Flores-Alamo, M
  • Moreno-Alcantar, G

CHEMICAL COMMUNICATIONS (p. 1398-1401) - 28/1/2022

10.1039/d1cc05241a Ver en origen

  • ISSN 13597345

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