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Miguel Gallegos
ORCID
Publication Activity (10 Years)
Years Active: 2021-2023
Publications (10 Years): 8
Top Topics
Molecular Dynamics
Electron Transfer
Cardiac Arrest
Monte Carlo
Top Venues
The Journal of chemical physics
Journal of computational chemistry
Molecules (Basel, Switzerland)
Chemphyschem : a European journal of chemical physics and physical chemistry
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This page only lists publications with an associated author ORCID identifier.
Publications
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Miguel Gallegos
,
Angel Martin Pendás
Developing a User-Friendly Code for the Fast Estimation of Well-Behaved Real-Space Partial Charges.
Journal of chemical information and modeling
(2023)
Andrea Echeverri
,
Miguel Gallegos
,
Tatiana Gómez
,
Angel Martin Pendás
,
Carlos Cardenas
Calculation of the ELF in the excited state with single-determinant methods.
The Journal of chemical physics
158 (17) (2023)
Miguel Gallegos
,
Daniel Barrena-Espés
,
José Manuel Guevara-Vela
,
Tomás Rocha-Rinza
,
Angel Martin Pendás
A QCT View of the Interplay between Hydrogen Bonds and Aromaticity in Small CHON Derivatives.
Molecules (Basel, Switzerland)
27 (18) (2022)
Miguel Gallegos
,
José Manuel Guevara-Vela
,
Angel Martin Pendás
NNAIMQ: A neural network model for predicting QTAIM charges.
The Journal of chemical physics
156 (1) (2022)
Miguel Gallegos
,
Aurora Costales Castro
,
Angel Martin Pendás
A real space picture of the role of steric effects in S N 2 reactions.
Journal of computational chemistry
43 (11) (2022)
Fernando Jiménez-Grávalos
,
Miguel Gallegos
,
Angel Martin Pendás
,
Konstantin Yu Zhizhin
Challenging the electrostatic σ-hole picture of halogen bonding using minimal models and the interacting quantum atoms approach.
Journal of computational chemistry
42 (10) (2021)
José Manuel Guevara-Vela
,
Miguel Gallegos
,
Mónica A Valentín-Rodríguez
,
Aurora Costales Castro
,
Tomás Rocha-Rinza
,
Angel Martin Pendás
On the Relationship between Hydrogen Bond Strength and the Formation Energy in Resonance-Assisted Hydrogen Bonds.
Molecules (Basel, Switzerland)
26 (14) (2021)
Miguel Gallegos
,
Aurora Costales Castro
,
Angel Martin Pendás
Energetic Descriptors of Steric Hindrance in Real Space: An Improved IQA Picture*.
Chemphyschem : a European journal of chemical physics and physical chemistry
22 (8) (2021)