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

Química física aplicada / Universidad Autónoma de Madrid

Actividades

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

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

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

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

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

Chemical Bonding in Excited States: Energy Transfer and Charge Redistribution from a Real Space Perspective

  • Jara-Cortes, J
  • Guevara-Vela, JM
  • Pendas, AM
  • Hernandez-Trujillo, J

Journal Of Computational Chemistry (p. 957-970) - 15/5/2017

10.1002/jcc.24769 Ver en origen

  • ISSN 01928651

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

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

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

Cooperativity and Anticooperativity in Ion-Water Interactions: Implications for the Aqueous Solvation of Ions

  • Sauza-de la, VA
  • Rocha-Rinza, T
  • Guevara-Vela, JM

Chemphyschem (p. 1269-1285) - 16/6/2021

10.1002/cphc.202000981 Ver en origen

  • ISSN 14394235

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.

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

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