Search Results - Pendás, Ángel Martín

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  1. 1
    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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  2. 2
    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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  3. 3
    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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  4. 4
    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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  5. 5
    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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  6. 6
    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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  7. 7
    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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  8. 8
    The Ehrenfest force field: A perspective based on electron density functions

    The Ehrenfest force field: A perspective based on electron density functions by Mortera-Carbonell, Aldo J., Francisco, Evelio, Martín Pendás, Ángel, Hernández-Trujillo, Jesús

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  9. 9
    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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  10. 10
    A Dynamical Density Field That Shows the Localizability of Electrons: The Exchange-Correlation Ehrenfest Force

    A Dynamical Density Field That Shows the Localizability of Electrons: The Exchange-Correlation Ehrenfest Force by Mortera-Carbonell, Aldo J., Francisco, Evelio, Martín Pendás, Ángel, Hernández-Trujillo, Jesús

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  11. 11
    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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  12. 12
    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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  13. 13
    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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  14. 14
    How electrons still guard the space: Electron number distribution functions based on QTAIM∩ELF intersections

    How electrons still guard the space: Electron number distribution functions based on QTAIM∩ELF intersections by Barrena-Espés, Daniel, Munárriz, Julen, Martín Pendás, Ángel

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  15. 15
    Bond Order Densities in Real Space

    Bond Order Densities in Real Space by Casals-Sainz, José Luis, Fernández-Alarcón, A, Francisco, Evelio, Costales, Aurora, Martín Pendás, Ángel

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  16. 16
    Real‐Space In Situ Bond Energies: Toward A Consistent Energetic Definition of Bond Strength

    Real‐Space In Situ Bond Energies: Toward A Consistent Energetic Definition of Bond Strength by Menéndez‐Crespo, Daniel, Costales, Aurora, Francisco, Evelio, Martín Pendás, Ángel

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  17. 17
    Atomic shell structure from Born probabilities: Comparison to other shell descriptors and persistence in molecules

    Atomic shell structure from Born probabilities: Comparison to other shell descriptors and persistence in molecules by Menéndez-Herrero, María, Munárriz, Julen, Francisco, Evelio, Martín Pendás, Ángel

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  18. 18
    Reply to: An approach to the resolution of the dispute on collective atomic interactions

    Reply to: An approach to the resolution of the dispute on collective atomic interactions by Bandeira, Nuno A. G., Martín Pendás, Ángel, Foroutan-Nejad, Cina

    Published in Nature communications
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  19. 19
    Persistence of atoms in molecules: there is room beyond electron densities

    Persistence of atoms in molecules: there is room beyond electron densities by Menendez-Herrero, Maria, Pendas, Angel Ma

    Published in IUCrJ
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  20. 20
    Assessing the Reversed Exponential Decay of the Electrical Conductance in Molecular Wires: The Undeniable Effect of Static Electron Correlation

    Assessing the Reversed Exponential Decay of the Electrical Conductance in Molecular Wires: The Undeniable Effect of Static Electron Correlation by Gil-Guerrero, Sara, Peña-Gallego, Ángeles, Ramos-Berdullas, Nicolás, Martín Pendás, Ángel, Mandado, Marcos

    Published in Nano letters
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