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Ángel Martín Pendás

Ángel Martín Pendás

D-Index & Metrics

Chemistry

D-Index
48
Citations
8298
World Ranking
15240
National Ranking
607

Overview

Ángel Martín Pendás is affiliated with the University of Oviedo in Spain. Their research spans multiple disciplines including Chemistry, Physics and Astronomy, and Materials Science, with a significant focus on Atomic and Molecular Physics, and Optics, Materials Chemistry, and Physical and Theoretical Chemistry. The scientist's work also covers Organic Chemistry and Spectroscopy.

The primary topics of their research include Advanced Chemical Physics Studies, Crystallography and Molecular Interactions, Spectroscopy and Quantum Chemical Studies, X-ray Diffraction in Crystallography, Machine Learning in Materials Science, Crystallization and Solubility Studies, and Molecular Spectroscopy and Chirality.

Ángel Martín Pendás has contributed to publications in several respected venues, among which are The Cambridge Structural Database, Physical Chemistry Chemical Physics, Molecules, The Journal of Chemical Physics, and Nature Communications. Their frequent collaboration with other researchers includes work with José Manuel Guevara-Vela, Tomás Rocha-Rinza, E. Francisco, Miguel Gallegos, and Julia Contreras-García.

Recent papers authored or coauthored by Ángel Martín Pendás include:

  • Interacting Quantum Atoms-A Review, 2020, Molecules
  • Explainable chemical artificial intelligence from accurate machine learning of real-space chemical descriptors, 2024, Nature Communications
  • Collective interactions among organometallics are exotic bonds hidden on lab shelves, 2022, Nature Communications
  • Atoms in molecules in real space: a fertile field for chemical bonding, 2023, Physical Chemistry Chemical Physics
  • Metavalent or Hypervalent Bonding: Is There a Chance for Reconciliation?, 2023, Advanced Science

In addition to articles, Ángel Martín Pendás has published books, including the title Topological Approaches to the Chemical Bond, released in 2023 by Springer International Publishing.

Best Publications

  • First-principles study of the rocksalt–cesium chloride relative phase stability in alkali halides

    Unknown

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

    Unknown

  • Bond paths as privileged exchange channels.

    A. Martín Pendás;Evelio Francisco;Miguel A. Blanco;Carlo Gatti

  • Extension of the interacting quantum atoms (IQA) approach to B3LYP level density functional theory (DFT).

    Peter Maxwell;Ángel Martín Pendás;Paul L. A. Popelier

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

    Unknown

  • Two-electron integrations in the quantum theory of atoms in molecules

    Unknown

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

    Carlos Outeiral;Carlos Outeiral;Mark A. Vincent;Ángel Martín Pendás;Paul L. A. Popelier

  • Nine questions on energy decomposition analysis.

    Juan Andrés;Paul W. Ayers;Roberto Álvarez Boto;Ramon Carbó-Dorca

  • Local compressibilities in crystals

    Unknown

  • Theoretical explanation of the uniform compressibility behavior observed in oxide spinels

    J. M. Recio;R. Franco;A. Martín Pendás;M. A. Blanco

  • Hydrogen bond cooperativity and anticooperativity within the water hexamer

    José Manuel Guevara-Vela;Eduardo Romero-Montalvo;Víctor Arturo Mora Gómez;Rodrigo Chávez-Calvillo

  • Six questions on topology in theoretical chemistry

    Paul L. Ayers;Russell J. Boyd;Patrick Bultinck;Michel Caffarel

  • Ions in crystals: The topology of the electron density in ionic materials.II. The cubic alkali halide perovskites

    Unknown

  • Bonding between strongly repulsive metal atoms: an oxymoron made real in a confined space of endohedral metallofullerenes

    Alexey A. Popov;Alexey A. Popov;Stanislav Avdoshenko;Angel Martín Pendás;Lothar Dunsch

  • Interacting Quantum Atoms-A Review.

    José Manuel Guevara-Vela;Evelio Francisco;Tomás Rocha-Rinza;Ángel Martín Pendás

  • Two‐electron integrations in the Quantum Theory of Atoms in Molecules with correlated wave functions

    Unknown

  • Domain-averaged exchange-correlation energies as a physical underpinning for chemical graphs

    M. García-Revilla;E. Francisco;Paul L. A. Popelier;Angel Martín Pendás

  • Hydrogen‐Bond Cooperative Effects in Small Cyclic Water Clusters as Revealed by the Interacting Quantum Atoms Approach

    José Manuel Guevara-Vela;José Manuel Guevara-Vela;Rodrigo Chávez-Calvillo;Marco García-Revilla;Jesús Hernández-Trujillo

  • Chemical bonding in group III nitrides.

    Aurora Costales;Miguel A. Blanco;Ángel Martín Pendás;and Anil K. Kandalam

  • Binding Energies of First Row Diatomics in the Light of the Interacting Quantum Atoms Approach

    Unknown

  • Rigorous characterization of oxygen vacancies in ionic oxides

    P. Mori-Sánchez;P. Mori-Sánchez;J. M. Recio;J. M. Recio;Bernard Silvi;Bernard Silvi;C. Sousa

  • Quantum-mechanical analysis of the equation of state of anatase TiO 2

    M. Calatayud;P. Mori-Sánchez;A. Beltrán;A. Martín Pendás

  • Dative and Electron‐Sharing Bonding in C2F4

    Diego M. Andrada;Diego M. Andrada;José Luis Casals-Sainz;Ángel Martín Pendás;Gernot Frenking;Gernot Frenking

  • The nature of resonance-assisted hydrogen bonds: a quantum chemical topology perspective

    José Manuel Guevara-Vela;Eduardo Romero-Montalvo;Aurora Costales;Ángel Martín Pendás

  • Evolution of the properties of AlnNn clusters with size

    Aurora Costales;M. A. Blanco;E. Francisco;Ravindra Pandey

  • First Principles Study of Polyatomic Clusters of AlN, GaN, and InN. 2. Chemical Bonding

    Aurora Costales;Anil K. Kandalam;A. Martín Pendás;M. A. Blanco

  • Nature of Chemical Interactions from the Profiles of Electron Delocalization Indices.

    Marco García-Revilla;Paul L. A. Popelier;Evelio Francisco;Ángel Martín Pendás

  • One-electron images in real space: natural adaptive orbitals.

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

  • Bond metallicity of materials from real space charge density distributions

    Samantha Jenkins;P. W. Ayers;Steven R. Kirk;P. Mori-Sánchez

Frequent Co-Authors

Paul L. A. Popelier
Paul L. A. Popelier University of Manchester
Alexey A. Popov
Alexey A. Popov Leibniz Association
Bernard Silvi
Bernard Silvi Sorbonne University
Carlo Gatti
Carlo Gatti National Research Council (CNR)
Gernot Frenking
Gernot Frenking Philipp University of Marburg
Patrick Bultinck
Patrick Bultinck Ghent University
Miquel Solà
Miquel Solà University of Girona
Juan Andrés
Juan Andrés Jaume I University
David L. Cooper
David L. Cooper University of Liverpool
Jerzy Cioslowski
Jerzy Cioslowski University of Szczecin

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