Angel Martin Pendás (Angel Martín Pendás, Ángel Martín-Pendás, Ángel Martín Pendás, A Martín Pendás, Á Martín Pendás, Angel Martín-Pendás, A Martín Pendás, Angel Martín Pendás, Ángel Martín Pendás)

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 59

Top Venues

Physical chemistry chemical physics : PCCP

Journal of chemical information and modeling

Chemistry (Weinheim an der Bergstrasse, Germany)

Molecules (Basel, Switzerland)

Universidad de Oviedo

Universidad de Oviedo (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Universidad de Oviedo

Spain

Professor :: Dpto. Química Física y Analítica

Education History

Universidad de Oviedo

Spain

PHD :: Depto. Química Física y Analítica

Publications

Miguel Gallegos, Bienfait Kabuyaya Isamura, Paul L A Popelier, Angel Martin Pendás
An Unsupervised Machine Learning Approach for the Automatic Construction of Local Chemical Descriptors. Journal of chemical information and modeling 64 (8) (2024)
Miguel Gallegos, Bienfait Kabuyaya Isamura, Paul L A Popelier, Angel Martin Pendás
An Unsupervised Machine Learning Approach for the Automatic Construction of Local Chemical Descriptors. Journal of chemical information and modeling 64 (8) (2024)
Miguel Gallegos, Bienfait Kabuyaya Isamura, Paul L A Popelier, Angel Martin Pendás
An Unsupervised Machine Learning Approach for the Automatic Construction of Local Chemical Descriptors. Journal of chemical information and modeling 64 (8) (2024)
Miguel Gallegos, Vicente Del Amo, José Manuel Guevara-Vela, Guillermo Moreno-Alcántar, Angel Martin Pendás
Radical revelations: the pnictogen effect in linear acetylenes. Physical chemistry chemical physics : PCCP (2024)
Miguel Gallegos, Vicente Del Amo, José Manuel Guevara-Vela, Guillermo Moreno-Alcántar, Angel Martin Pendás
Radical revelations: the pnictogen effect in linear acetylenes. Physical chemistry chemical physics : PCCP 26 (9) (2024)
Miguel Gallegos, Bienfait Kabuyaya Isamura, Paul L A Popelier, Angel Martin Pendás
An Unsupervised Machine Learning Approach for the Automatic Construction of Local Chemical Descriptors. Journal of chemical information and modeling 64 (8) (2024)
Miguel Gallegos, Bienfait Kabuyaya Isamura, Paul L A Popelier, Angel Martin Pendás
An Unsupervised Machine Learning Approach for the Automatic Construction of Local Chemical Descriptors. Journal of chemical information and modeling (2024)
Miguel Gallegos, Valentin Vassilev-Galindo, Igor Poltavsky, Angel Martin Pendás, Alexandre Tkatchenko
Explainable chemical artificial intelligence from accurate machine learning of real-space chemical descriptors. Nature communications 15 (1) (2024)
Miguel Gallegos, Bienfait Kabuyaya Isamura, Paul L A Popelier, Angel Martin Pendás
An Unsupervised Machine Learning Approach for the Automatic Construction of Local Chemical Descriptors. Journal of chemical information and modeling 64 (8) (2024)
Miguel Gallegos, Bienfait Kabuyaya Isamura, Paul L A Popelier, Angel Martin Pendás
An Unsupervised Machine Learning Approach for the Automatic Construction of Local Chemical Descriptors. Journal of chemical information and modeling 64 (8) (2024)
Angel Martin Pendás, Evelio Francisco, Dimas Suárez, Aurora Costales Castro, Natalia Díaz, Julen Munarriz, Tomás Rocha-Rinza, José Manuel Guevara-Vela
Atoms in molecules in real space: a fertile field for chemical bonding. Physical chemistry chemical physics : PCCP (2023)
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)
Vojtech Šadek, Shahin Sowlati-Hashjin, SeyedAbdolreza Sadjadi, Jonathan F Lovell, Angel Martin Pendás, Cina Foroutan-Nejad
Reply to: On the existence of collective interactions reinforcing the metal-ligand bond in organometallic compounds. Nature communications 14 (1) (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)
José Manuel Guevara-Vela, Arturo Sauza-de la Vega, Miguel Gallegos, Angel Martin Pendás, Tomás Rocha-Rinza
Wave function analyses of scandium-doped aluminium clusters, AlnSc ( n = 1-24), and their CO 2 fixation abilities. Physical chemistry chemical physics : PCCP (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)
José Manuel Guevara-Vela, Kristopher M Hess, Tomás Rocha-Rinza, Angel Martin Pendás, Marcos Flores-Álamo, Guillermo Moreno-Alcántar
Stronger-together: the cooperativity of aurophilic interactions. Chemical communications (Cambridge, England) 58 (9) (2022)
Hugo Salazar-Lozas, José Manuel Guevara-Vela, Angel Martin Pendás, Evelio Francisco, Tomás Rocha-Rinza
Partition of the electronic energy of the PM7 method via the interacting quantum atoms approach. Physical chemistry chemical physics : PCCP 24 (32) (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)
Angel Martin Pendás, Evelio Francisco
The role of references and the elusive nature of the chemical bond. Nature communications 13 (1) (2022)
Roberto López, Natalia Díaz, Evelio Francisco, Angel Martin Pendás, Dimas Suárez
QM/MM Energy Decomposition Using the Interacting Quantum Atoms Approach. Journal of chemical information and modeling 62 (6) (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)
Miguel Gallegos, Aurora Costales Castro, Angel Martin Pendás
Does Steric Hindrance Actually Govern the Competition between Bimolecular Substitution and Elimination Reactions? The journal of physical chemistry. A 126 (11) (2022)
Shahin Sowlati-Hashjin, Vojtěch Šadek, SeyedAbdolreza Sadjadi, Jonathan F Lovell, Angel Martin Pendás, Cina Foroutan-Nejad
Collective interactions among organometallics are exotic bonds hidden on lab shelves. Nature communications 13 (1) (2022)
A Gallo-Bueno, M Kohout, Evelio Francisco, Angel Martin Pendás
Localization and Delocalization in Solids from Electron Distribution Functions. Journal of chemical theory and computation 18 (7) (2022)
Daniel Menéndez Crespo, Frank Richard Wagner, Evelio Francisco, Angel Martin Pendás, Yuri Grin, Miroslav Kohout
Interacting Quantum Atoms Method for Crystalline Solids. The journal of physical chemistry. A 125 (40) (2021)
Evelio Francisco, Aurora Costales Castro, María Menéndez-Herrero, Angel Martin Pendás
Lewis Structures from Open Quantum Systems Natural Orbitals: Real Space Adaptive Natural Density Partitioning. The journal of physical chemistry. A 125 (18) (2021)
Julen Munarriz, Miguel Gallegos, Julia Contreras-García, Angel Martin Pendás
Energetics of Electron Pairs in Electrophilic Aromatic Substitutions. Molecules (Basel, Switzerland) 26 (2) (2021)
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)
Angel Martin Pendás, Francisco Munoz, Carlos Cardenas, Julia Contreras-García
Understanding Topological Insulators in Real Space. Molecules (Basel, Switzerland) 26 (10) (2021)
Angel Martin Pendás, Evelio Francisco
Questioning the orbital picture of magnetic spin coupling: a real space alternative. Physical chemistry chemical physics : PCCP (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)
Jesús Jara-Cortés, Edith Leal-Sánchez, Evelio Francisco, José A Pérez-Pimienta, Angel Martin Pendás, Jesús Hernández-Trujillo
Implementation of the interacting quantum atom energy decomposition using the CASPT2 method. Physical chemistry chemical physics : PCCP (2021)
José Manuel Guevara-Vela, Evelio Francisco, Tomás Rocha-Rinza, Angel Martin Pendás
Interacting Quantum Atoms-A Review. Molecules (Basel, Switzerland) 25 (17) (2020)
Alberto Fernández-Alarcón, José Manuel Guevara-Vela, José Luis Casals-Sainz, Aurora Costales, Evelio Francisco, Angel Martin Pendás, Tomás Rocha-Rinza
Photochemistry in Real Space: Batho- and Hypsochromism in the Water Dimer. Chemistry (Weinheim an der Bergstrasse, Germany) 26 (71) (2020)
Alberto Fernández-Alarcón, José Manuel Guevara-Vela, José Luis Casals-Sainz, Aurora Costales, Evelio Francisco, Angel Martin Pendás, Tomás Rocha-Rinza
Photochemistry in Real Space: Batho- and Hypsochromism in the Water Dimer. Chemistry (Weinheim an der Bergstrasse, Germany) 26 (71) (2020)
Guillermo Moreno-Alcántar, Luis Turcio-García, José M Guevara-Vela, Eduardo Romero-Montalvo, Tomás Rocha-Rinza, Angel Martin Pendás, Marcos Flores-Álamo, Hugo Torrens
Directing the Crystal Packing in Triphenylphosphine Gold(I) Thiolates by Ligand Fluorination. Inorganic chemistry 59 (13) (2020)
José Luis Casals-Sainz, A Fernández-Alarcón, Evelio Francisco, Aurora Costales, Angel Martin Pendás
Bond Order Densities in Real Space. The journal of physical chemistry. A 124 (2) (2020)
José Luis Casals-Sainz, José Manuel Guevara-Vela, Evelio Francisco, Tomás Rocha-Rinza, Angel Martin Pendás
Efficient implementation of the interacting quantum atoms energy partition of the second-order Møller-Plesset energy. Journal of computational chemistry 41 (13) (2020)
Angel Martin Pendás, E Francisco
Quantum Chemical Topology as a Theory of Open Quantum Systems. Journal of chemical theory and computation 15 (2) (2019)
Angel Martin Pendás, Julia Contreras-García, Fernanda Pinilla, José D Mella, Carlos Cardenas, Francisco Munoz
A chemical theory of topological insulators. Chemical communications (Cambridge, England) 55 (82) (2019)
Sara Gil-Guerrero, Nicolás Ramos-Berdullas, Angel Martin Pendás, Evelio Francisco, Marcos Mandado
Anti-ohmic single molecule electron transport: is it feasible? Nanoscale advances 1 (5) (2019)
Sara Gil-Guerrero, Ángeles Peña-Gallego, Nicolás Ramos-Berdullas, Angel Martin Pendás, Marcos Mandado
Assessing the Reversed Exponential Decay of the Electrical Conductance in Molecular Wires: The Undeniable Effect of Static Electron Correlation. Nano letters 19 (10) (2019)
Natalia Díaz, Fernando Jiménez-Grávalos, Dimas Suárez, Evelio Francisco, Angel Martin Pendás
Fluorine conformational effects characterized by energy decomposition analysis. Physical chemistry chemical physics : PCCP 21 (45) (2019)
José Luis Casals-Sainz, Aurora Costales Castro, Evelio Francisco, Angel Martin Pendás
Tetrel Interactions from an Interacting Quantum Atoms Perspective. Molecules (Basel, Switzerland) 24 (12) (2019)
Pablo Carpio-Martínez, José Enrique Barquera-Lozada, Angel Martin Pendás, Fernando Cortés-Guzmán
Laplacian of the Hamiltonian Kinetic Energy Density as an Indicator of Binding and Weak Interactions. Chemphyschem : a European journal of chemical physics and physical chemistry 21 (3) (2019)
José Luis Casals-Sainz, Jesús Jara-Cortés, Jesús Hernández-Trujillo, José Manuel Guevara-Vela, Evelio Francisco, Angel Martin Pendás
Exotic Bonding Regimes Uncovered in Excited States. Chemistry (Weinheim an der Bergstrasse, Germany) 25 (52) (2019)
Daniel Menéndez-Crespo, Aurora Costales, Evelio Francisco, Angel Martin Pendás
Real-Space In Situ Bond Energies: Toward A Consistent Energetic Definition of Bond Strength. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (36) (2018)
Angel Martin Pendás, Jose Luis Casals-Sainz, Evelio Francisco
On Electrostatics, Covalency, and Chemical Dashes: Physical Interactions versus Chemical Bonds. Chemistry (Weinheim an der Bergstrasse, Germany) 25 (1) (2018)
Eduardo Romero-Montalvo, José Manuel Guevara-Vela, Wilmer Esteban Vallejo Narváez, Aurora Costales, Angel Martin Pendás, Marcos Hernández-Rodríguez, Tomás Rocha-Rinza
The bifunctional catalytic role of water clusters in the formation of acid rain. Chemical communications (Cambridge, England) 53 (25) (2018)
Alberto Otero-de-la-Roza, Angel Martin Pendás, Erin R Johnson
Quantitative Electron Delocalization in Solids from Maximally Localized Wannier Functions. Journal of chemical theory and computation 14 (9) (2018)
Angel Martin Pendás, José Manuel Guevara-Vela, Daniel Menéndez Crespo, Aurora Costales, Evelio Francisco
An unexpected bridge between chemical bonding indicators and electrical conductivity through the localization tensor. Physical chemistry chemical physics : PCCP 19 (3) (2018)
Diego M Andrada, José Luis Casals-Sainz, Angel Martin Pendás, Gernot Frenking
Dative and Electron-Sharing Bonding in C2 F4. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (36) (2018)
Carlos Outeiral, Mark A Vincent, Angel Martin Pendás, Paul L A Popelier
Revitalizing the concept of bond order through delocalization measures in real space. Chemical science 9 (25) (2018)
José Luis Casals-Sainz, Fernando Jiménez-Grávalos, Aurora Costales, Evelio Francisco, Angel Martin Pendás
Beryllium Bonding in the Light of Modern Quantum Chemical Topology Tools. The journal of physical chemistry. A 122 (3) (2018)
Evelio Francisco, Daniel Menéndez Crespo, Aurora Costales, Angel Martin Pendás
A multipolar approach to the interatomic covalent interaction energy. Journal of computational chemistry 38 (11) (2017)
José Manuel Guevara-Vela, Eduardo Romero-Montalvo, Alejandra Del Río-Lima, Angel Martin Pendás, Marcos Hernández-Rodríguez, Tomás Rocha-Rinza
Hydrogen-Bond Weakening through π Systems: Resonance-Impaired Hydrogen Bonds (RIHB). Chemistry (Weinheim an der Bergstrasse, Germany) 23 (65) (2017)
José Luis Casalz-Sainz, José Manuel Guevara-Vela, Evelio Francisco, Tomás Rocha-Rinza, Angel Martin Pendás
Where Does Electron Correlation Lie? Some Answers from a Real Space Partition. Chemphyschem : a European journal of chemical physics and physical chemistry 18 (24) (2017)

Angel Martin Pendás.css-eqlu8i{font-size:small;padding-left:4px;} (Angel Martín Pendás, Ángel Martín-Pendás, Ángel Martín Pendás, A Martín Pendás, Á Martín Pendás, Angel Martín-Pendás, A Martín Pendás, Angel Martín Pendás, Ángel Martín Pendás)

Publication Activity (10 Years)

Top Topics

Top Venues

Angel Martin Pendás (Angel Martín Pendás, Ángel Martín-Pendás, Ángel Martín Pendás, A Martín Pendás, Á Martín Pendás, Angel Martín-Pendás, A Martín Pendás, Angel Martín Pendás, Ángel Martín Pendás)