Ángel Martín Pendás

According to our database, Ángel Martín Pendás authored at least 17 papers between 2005 and 2023.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of five.

2023

Developing a User-Friendly Code for the Fast Estimation of Well-Behaved Real-Space Partial Charges.

Miguel Gallegos, Ángel Martín Pendás

J. Chem. Inf. Model., July, 2023

2022

QM/MM Energy Decomposition Using the Interacting Quantum Atoms Approach.

Roberto López, Natalia Díaz, Evelio Francisco, Ángel Martín Pendás, Dimas Suárez

J. Chem. Inf. Model., 2022

A real space picture of the role of steric effects in SN2 reactions.

Miguel Gallegos, Aurora Costales, Ángel Martín Pendás

J. Comput. Chem., 2022

2021

Challenging the electrostatic σ-hole picture of halogen bonding using minimal models and the interacting quantum atoms approach.

Fernando Jiménez-Grávalos, Miguel Gallegos, Ángel Martín Pendás, Alexander S. Novikov

J. Comput. Chem., 2021

2020

On the strength of hydrogen bonding within water clusters on the coordination limit.

Víctor Manuel Castor-Villegas, José Manuel Guevara-Vela, Wilmer E. Vallejo Narváez, Ángel Martín Pendás, Tomás Rocha-Rinza, Alberto Fernández-Alarcón

J. Comput. Chem., 2020

Efficient implementation of the interacting quantum atoms energy partition of the second-order Møller-Plesset energy.

José Luis Casals-Sainz, José Manuel Guevara-Vela, Evelio Francisco, Tomás Rocha-Rinza, Ángel Martín Pendás

J. Comput. Chem., 2020

2019

Nine questions on energy decomposition analysis.

Juan Andrés, Paul W. Ayers, Roberto Álvarez Boto, Ramon Carbó-Dorca, Henry Chermette, Jerzy Cioslowski, Julia Contreras-Garcia, David L. Cooper, Gernot Frenking, Carlo Gatti, Farnaz Heidar-Zadeh, Laurent Joubert, Ángel Martín Pendás, Eduard Matito, István Mayer, Alston J. Misquitta, Yirong Mo, Julien Pilmé, Paul L. A. Popelier, Martin Rahm, Eloy Ramos-Cordoba, Pedro Salvador, W. H. Eugen Schwarz, Shant Shahbazian, Bernard Silvi, Miquel Solà, Krzysztof Szalewicz, Vincent Tognetti, Frank Weinhold, Émilie-Laure Zins

J. Comput. Chem., 2019

2017

Chemical bonding in excited states: Energy transfer and charge redistribution from a real space perspective.

Jesús Jara-Cortés, José Manuel Guevara-Vela, Ángel Martín Pendás, Jesús Hernández-Trujillo

J. Comput. Chem., 2017

A multipolar approach to the interatomic covalent interaction energy.

Evelio Francisco, Daniel Menéndez Crespo, Aurora Costales, Ángel Martín Pendás

J. Comput. Chem., 2017

2016

Electron correlation in the interacting quantum atoms partition via coupled-cluster lagrangian densities.

Fernando José Holguín-Gallego, Rodrigo Chávez-Calvillo, Marco García-Revilla, Evelio Francisco, Ángel Martín Pendás, Tomás Rocha-Rinza

J. Comput. Chem., 2016

2015

One-electron images in real space: Natural adaptive orbitals.

Marcos Menéndez, Roberto Álvarez Boto, Evelio Francisco, Ángel Martín Pendás

J. Comput. Chem., 2015

2014

Electron number distribution functions from molecular wavefunctions. Version 2.

Evelio Francisco, Ángel Martín Pendás

Comput. Phys. Commun., 2014

2009

Steric repulsions, rotation barriers, and stereoelectronic effects: A real space perspective.

Ángel Martín Pendás, M. A. Blanco, Evelio Francisco

J. Comput. Chem., 2009

Critic: a new program for the topological analysis of solid-state electron densities.

Alberto Otero-de-la-Roza, M. A. Blanco, Ángel Martín Pendás, Víctor Luaña

Comput. Phys. Commun., 2009

2008

EDF: Computing electron number probability distribution functions in real space from molecular wave functions.

Evelio Francisco, Ángel Martín Pendás, M. A. Blanco

Comput. Phys. Commun., 2008

2007

Chemical fragments in real space: Definitions, properties, and energetic decompositions.

Ángel Martín Pendás, M. A. Blanco, Evelio Francisco

J. Comput. Chem., 2007

2005

Two-electron integrations in the Quantum Theory of Atoms in Molecules with correlated wave functions.

Ángel Martín Pendás, Evelio Francisco, M. A. Blanco

J. Comput. Chem., 2005