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

Química física aplicada / Universidad Autónoma de Madrid

Publications

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 View at source

  • 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
... View more Collapse

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
... View more Collapse

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

10.1016/j.carbon.2022.12.041 View at source

  • 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 View at source

  • 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 View at source

  • 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 View at source

  • 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 View at source

  • 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 View at source

  • 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 View at source

  • ISSN 13597345

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