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

por Gallegos, Miguel, Martín Pendás, Ángel
Publicado 2023

The role of references and the elusive nature of the chemical bond

por Martín Pendás, Ángel, Francisco, Evelio
Publicado 2022

Does Steric Hindrance Actually Govern the Competition between Bimolecular Substitution and Elimination Reactions?

por Gallegos, Miguel, Costales, Aurora, Martín Pendás, Ángel
Publicado 2022

A real space picture of the role of steric effects in S(N)2 reactions

por Gallegos, Miguel, Costales, Aurora, Martín Pendás, Ángel
Publicado 2022

Energetics of Electron Pairs in Electrophilic Aromatic Substitutions

por Munárriz, Julen, Gallegos, Miguel, Contreras-García, Julia, Martín Pendás, Ángel
Publicado 2021

Understanding Topological Insulators in Real Space

por Martín Pendás, Angel, Muñoz, Francisco, Cardenas, Carlos, Contreras-García, Julia
Publicado 2021

Lewis Structures from Open Quantum Systems Natural Orbitals: Real Space Adaptive Natural Density Partitioning

por Francisco, Evelio, Costales, Aurora, Menéndez-Herrero, María, Pendás, Ángel Martín
Publicado 2021

QM/MM Energy Decomposition Using the Interacting Quantum Atoms Approach

por López, Roberto, Díaz, Natalia, Francisco, Evelio, Martín-Pendás, Angel, Suárez, Dimas
Publicado 2022

Revitalizing the concept of bond order through delocalization measures in real space

por Outeiral, Carlos, Vincent, Mark A., Martín Pendás, Ángel, Popelier, Paul L. A.
Publicado 2018

Tetrel Interactions from an Interacting Quantum Atoms Perspective

por Casals-Sainz, José Luis, Costales Castro, Aurora, Francisco, Evelio, Martín Pendás, Ángel
Publicado 2019

Interacting Quantum Atoms—A Review

por Guevara-Vela, José Manuel, Francisco, Evelio, Rocha-Rinza , Tomás, Martín Pendás, Ángel
Publicado 2020

Anti-ohmic single molecule electron transport: is it feasible?

por Gil-Guerrero, Sara, Ramos-Berdullas, Nicolás, Martín Pendás, Ángel, Francisco, Evelio, Mandado, Marcos
Publicado 2019

Interacting Quantum Atoms Method for Crystalline Solids

por Menéndez Crespo, Daniel, Wagner, Frank Richard, Francisco, Evelio, Martín Pendás, Ángel, Grin, Yuri, Kohout, Miroslav
Publicado 2021

A QCT View of the Interplay between Hydrogen Bonds and Aromaticity in Small CHON Derivatives

por Gallegos, Miguel, Barrena-Espés, Daniel, Guevara-Vela, José Manuel, Rocha-Rinza, Tomás, Pendás, Ángel Martín
Publicado 2022

Reply to: On the existence of collective interactions reinforcing the metal-ligand bond in organometallic compounds

por Šadek, Vojtech, Sowlati-Hashjin, Shahin, Sadjadi, SeyedAbdolreza, Karttunen, Mikko, Martín-Pendás, Angel, Foroutan-Nejad, Cina
Publicado 2023

Collective interactions among organometallics are exotic bonds hidden on lab shelves

por Sowlati-Hashjin, Shahin, Šadek, Vojtěch, Sadjadi, SeyedAbdolreza, Karttunen, Mikko, Martín-Pendás, Angel, Foroutan-Nejad, Cina
Publicado 2022

On the Relationship between Hydrogen Bond Strength and the Formation Energy in Resonance-Assisted Hydrogen Bonds

por Guevara-Vela, José Manuel, Gallegos, Miguel, Valentín-Rodríguez, Mónica A., Costales, Aurora, Rocha-Rinza, Tomás, Pendás, Ángel Martín
Publicado 2021