Guevara Vela, Jose Manuel jose.guevara@uam.es
Actividades
- Artículos 43
- Libros 0
- Capítulos de libro 2
- Congresos 0
- Documentos de trabajo 0
- Informes técnicos 0
- Proyectos de investigación 0
- Tesis dirigidas 0
- Patentes o licencias de software 0
NNAIMQ: A neural network model for predicting QTAIM charges
- Gallegos, M
- Guevara-Vela, JM
- Pendas, AM
JOURNAL OF CHEMICAL PHYSICS - 7/1/2022
10.1063/5.0076896 Ver en origen
- ISSN 00219606
On the strength of hydrogen bonding within water clusters on the coordination limit
- Castor-Villegas, VM
- Guevara-Vela, JM
- Narvaez, WVE
- Pendas, AM
- Rocha-Rinza, T
- Fernandez-Alarcon, A
JOURNAL OF COMPUTATIONAL CHEMISTRY (p. 2266-2277) - 5/10/2020
10.1002/jcc.26391 Ver en origen
- ISSN 01928651
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
Efficient implementation of the interacting quantum atoms energy partition of the second-order Moller-Plesset energy
- Casals-Sainz, JL
- Guevara-Vela, JM
- Francisco, E
- Rocha-Rinza, T
- Pendas, AM
Journal Of Computational Chemistry (p. 1234-1241) - 15/5/2020
10.1002/jcc.26169 Ver en origen
- ISSN 01928651
Valence Shell Charge Concentration (VSCC) Evolution: A Tool to Investigate the Transformations within a VSCC Throughout a Chemical Reaction
- Cortes-Guzman, F
- Gomez, RM
- Rocha-Rinza, T
- Sanchez-Obregon, MA
- Guevara-Vela, JM
Journal Of Physical Chemistry a (p. 12924-12932) - 17/11/2011
10.1021/jp204030e Ver en origen
- ISSN 15205215
On the Relationship between Hydrogen Bond Strength and the Formation Energy in Resonance-Assisted Hydrogen Bonds
- Manuel Guevara-Vela, Jose
- Gallegos, Miguel
- Valentin-Rodriguez, Monica A.
- Costales, Aurora
- Rocha-Rinza, Tomas
- Martin Pendas, Angel;
MOLECULES - 2/7/2021
10.3390/molecules26144196 Ver en origen
- ISSN 14203049
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
Interacting Quantum Atoms-A Review
- Guevara-Vela, JM
- Francisco, E
- Rocha-Rinza, T
- Pendas, AM
Molecules - 1/9/2020
10.3390/molecules25174028 Ver en origen
- ISSN 14203049
Structural effects of trifluoromethylation and fluorination in gold(I) BIPHEP fluorothiolates
- Moreno-Alcantar, G
- Guevara-Vela, JM
- Delgadillo-Ruiz, R
- Rocha-Rinza, T
- Pendas, AM
- Flores-Alamo, M
- Torrens, H
NEW JOURNAL OF CHEMISTRY (p. 10537-10541) - 7/10/2017
10.1039/c7nj02202f Ver en origen
- ISSN 11440546
Partition of electronic excitation energies: the IQA/EOM-CCSD method
- Fernandez-Alarcon, A
- Casals-Sainz, JL
- Guevara-Vela, JM
- Costales, A
- Francisco, E
- Pendas, AM
- Rocha-Rinza, T
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (p. 13428-13439) - 1/1/2019
10.1039/c9cp00530g Ver en origen
- ISSN 14639076
Este/a investigador/a no tiene libros.
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
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
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.
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