Angel Martín Pendás

Professor

University of Oviedo

Spain

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About

Angel Martín Pendás is a Professor at Universidad de Oviedo, Spain. His research focuses on computational chemistry and physical chemistry, with recent articles exploring topology in computational results, electrostatic potential, and the mechanisms of Mott insulators. He also investigates chemical bonding, singlet fission, and the interaction of hydration with reaction mechanisms.

Articles (26)

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2025

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2022

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2022

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2022

Collaborators (11)

Julen Munarriz

Assistant Professor

Universidad de Zaragoza

SPAIN

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Paul L. A. Popelier

The University of Manchester

UNITED KINGDOM

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dimas Suarez

Prof. titular

University of Oviedo

SPAIN

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José Manuel Guevara-Vela

Universidad Autónoma de Madrid

SPAIN

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Pablo García-Fernández

Universidad de Cantabria

SPAIN

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Alessandro Genoni

FRANCE

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Vicente del Amo

Universidad de Oviedo Facultad de Química

SPAIN

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Valentin Vassilev-Galindo

Universidad Pública de Navarra (UPNA)

SPAIN

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Mikko Karttunen

Professor / Canada Research Chair (Tier 1) in Computational Materials and Biomaterials Research

Western University

CANADA

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Evelio Francisco

Professor

University of Oviedo

SPAIN

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María Aurora Costales Castro

University of Oviedo

SPAIN

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Angel Martín Pendás

Research Interests

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About

Articles (26)

Magnetic Superexchange and Mott Insulator Mechanisms in Cubic Perovskites: From First-Principles to Canonical Models

Exhaustive Spatial Sampling for Complete Topology of the Electrostatic Potential

Real Space Partitioning of the First Hyperpolarizability

Linnett is Back: Chemical Bonding through the Lens of Born Maxima

Can we talk about ionic bonds in molecules? Yes, just as we do for covalent bonds

Using topology for understanding your computational results

Effect of Explicit Hydration on the Cisplatin Reaction Mechanism with Adenine and Guanine

Pentafluoroorthotellurate Uncovered: Theoretical Perspectives on an Extremely Electronegative Group

Role of the Radical Character in Singlet Fission: An Ab Initio and Quantum Chemical Topology Analysis

Critical assessment of the x-ray restrained wave function approach: Advantages, drawbacks, and perspectives for density functional theory and periodic ab initio calculations

Explainable chemical artificial intelligence from accurate machine learning of real-space chemical descriptors

An Unsupervised Machine Learning Approach for the Automatic Construction of Local Chemical Descriptors

How electrons still guard the space: Electron number distribution functions based on QTAIM∩ELF intersections

Radical revelations: the pnictogen effect in linear acetylenes

Reply to: An approach to the resolution of the dispute on collective atomic interactions

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

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

Calculation of the ELF in the excited state with single-determinant methods

Atoms in molecules in real space: a fertile field for chemical bonding

Wave function analyses of scandium-doped aluminium clusters, AlnSc (n = 1–24), and their CO2 fixation abilities

The Ehrenfest force field: A perspective based on electron density functions

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

Localization and Delocalization in Solids from Electron Distribution Functions

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

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

Atomic shell structure from Born probabilities: Comparison to other shell descriptors and persistence in molecules

Collaborators (11)

Julen Munarriz

Paul L. A. Popelier

dimas Suarez

José Manuel Guevara-Vela

Pablo García-Fernández

Alessandro Genoni

Vicente del Amo

Valentin Vassilev-Galindo

Mikko Karttunen

Evelio Francisco

María Aurora Costales Castro

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