Search Results - Martín-Pendás, Angel

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  1. 1
    Collective interactions among organometallics are exotic bonds hidden on lab shelves

    Collective interactions among organometallics are exotic bonds hidden on lab shelves by Sowlati-Hashjin, Shahin, Šadek, Vojtěch, Sadjadi, SeyedAbdolreza, Karttunen, Mikko, Martín-Pendás, Angel, Foroutan-Nejad, Cina

    Published in Nature communications
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  2. 2
    Application of the Interacting Quantum Atoms Approach to the S66 and Ionic‐Hydrogen‐Bond Datasets for Noncovalent Interactions

    Application of the Interacting Quantum Atoms Approach to the S66 and Ionic‐Hydrogen‐Bond Datasets for Noncovalent Interactions by Suárez, Dimas, Díaz, Natalia, Francisco, Evelio, Martín Pendás, Angel

    Published in Chemphyschem
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  3. 3
    Reply to: On the existence of collective interactions reinforcing the metal-ligand bond in organometallic compounds

    Reply to: On the existence of collective interactions reinforcing the metal-ligand bond in organometallic compounds by Šadek, Vojtech, Sowlati-Hashjin, Shahin, Sadjadi, SeyedAbdolreza, Karttunen, Mikko, Martín-Pendás, Angel, Foroutan-Nejad, Cina

    Published in Nature communications
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  4. 4
    Bonding between strongly repulsive metal atoms: an oxymoron made real in a confined space of endohedral metallofullerenes

    Bonding between strongly repulsive metal atoms: an oxymoron made real in a confined space of endohedral metallofullerenes by Popov, Alexey A, Avdoshenko, Stas M, Pendás, Angel Martín, Dunsch, Lothar

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  5. 5
    QM/MM Energy Decomposition Using the Interacting Quantum Atoms Approach

    QM/MM Energy Decomposition Using the Interacting Quantum Atoms Approach by López, Roberto, Díaz, Natalia, Francisco, Evelio, Martín-Pendás, Angel, Suárez, Dimas

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  6. 6
    Understanding Topological Insulators in Real Space

    Understanding Topological Insulators in Real Space by Martín Pendás, Angel, Muñoz, Francisco, Cardenas, Carlos, Contreras-García, Julia

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  7. 7
    A chemical theory of topological insulators

    A chemical theory of topological insulators by Martín Pendás, Angel, Contreras-García, Julia, Pinilla, Fernanda, Mella, José D, Cardenas, Carlos, Muñoz, Francisco

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  8. 8
    Domain-Averaged Exchange-Correlation Energies as a Physical Underpinning for Chemical Graphs

    Domain-Averaged Exchange-Correlation Energies as a Physical Underpinning for Chemical Graphs by García-Revilla, M., Francisco, E., Popelier, Paul L. A., Martín Pendás, Angel

    Published in Chemphyschem
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  9. 9
    The Nature of the Interaction of Organoselenium Molecules with Diiodine

    The Nature of the Interaction of Organoselenium Molecules with Diiodine by Madzhidov, Timur I, Chmutova, Galina A, Martín Pendás, Ángel

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  10. 10
    Interacting Quantum Atoms-A Review

    Interacting Quantum Atoms-A Review by Guevara-Vela, José Manuel, Francisco, Evelio, Rocha-Rinza, Tomás, Martín Pendás, Ángel

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  11. 11
    Chemical Bonding from the Statistics of the Electron Distribution

    Chemical Bonding from the Statistics of the Electron Distribution by Pendás, Ángel Martín, Francisco, Evelio

    Published in Chemphyschem
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  12. 12
    Critical assessment of the x-ray restrained wave function approach: Advantages, drawbacks, and perspectives for density functional theory and periodic ab initio calculations

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

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  13. 13
    Revitalizing the concept of bond order through delocalization measures in real space

    Revitalizing the concept of bond order through delocalization measures in real space by Outeiral, Carlos, Vincent, Mark A, Martín Pendás, Ángel, Popelier, Paul L A

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  14. 14
    Dative and Electron‐Sharing Bonding in C2F4

    Dative and Electron‐Sharing Bonding in C2F4 by Andrada, Diego M., Casals‐Sainz, José Luis, Martín Pendás, Ángel, Frenking, Gernot

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  15. 15
    Does Steric Hindrance Actually Govern the Competition between Bimolecular Substitution and Elimination Reactions?

    Does Steric Hindrance Actually Govern the Competition between Bimolecular Substitution and Elimination Reactions? by Gallegos, Miguel, Costales, Aurora, Martín Pendás, Ángel

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  16. 16
    The role of references and the elusive nature of the chemical bond

    The role of references and the elusive nature of the chemical bond by Martín Pendás, Ángel, Francisco, Evelio

    Published in Nature communications
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  17. 17
    A real space picture of the role of steric effects in SN2 reactions

    A real space picture of the role of steric effects in SN2 reactions by Gallegos, Miguel, Costales, Aurora, Martín Pendás, Ángel

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  18. 18
    Energetic Descriptors of Steric Hindrance in Real Space: An Improved IQA Picture

    Energetic Descriptors of Steric Hindrance in Real Space: An Improved IQA Picture by Gallegos, Miguel, Costales, Aurora, Pendás, Ángel Martín

    Published in Chemphyschem
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  19. 19
    Explainable chemical artificial intelligence from accurate machine learning of real-space chemical descriptors

    Explainable chemical artificial intelligence from accurate machine learning of real-space chemical descriptors by Gallegos, Miguel, Vassilev-Galindo, Valentin, Poltavsky, Igor, Martín Pendás, Ángel, Tkatchenko, Alexandre

    Published in Nature communications
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  20. 20
    Atoms in molecules in real space: a fertile field for chemical bonding

    Atoms in molecules in real space: a fertile field for chemical bonding by Martín Pendás, Ángel, Francisco, Evelio, Suárez, Dimas, Costales, Aurora, Díaz, Natalia, Munárriz, Julen, Rocha-Rinza, Tomás, Guevara-Vela, José Manuel

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