Daniel Menéndez Crespo
Daniel Menéndez Crespo
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Publications
Type
Journal article
Date
2021
2018
2017
2016
Interacting Quantum Atoms Method for Crystalline Solids
An implementation of the Interacting Quantum Atoms method for crystals is presented.
Daniel Menendez Crespo
,
Frank Richard Wagner
,
Evelio Francisco
,
Ángel Martín Pendás
,
Yuri Grin
,
Miroslav Kohout
DOI
Real‐Space In Situ Bond Energies: Toward A Consistent Energetic Definition of Bond Strength
A rigorous definition of intrinsic bond strength based on the partitioning of a molecule into real‐space fragments is presented. Using …
Daniel Menéndez‐Crespo
,
Aurora Costales
,
Evelio Francisco
,
Ángel Martín Pendás
DOI
A multipolar approach to the interatomic covalent interaction energy
Interatomic exchange‐correlation energies correspond to the covalent energetic contributions to an interatomic interaction in real …
Evelio Francisco
,
Daniel Menendez Crespo
,
Aurora Costales
,
Ángel Martín Pendás
DOI
An unexpected bridge between chemical bonding indicators and electrical conductivity through the localization tensor
While the modern theory of the insulating state shows that the conducting or insulating properties of a system can be extracted solely …
Ángel Martín Pendás
,
José Manuel Guevara-Vela
,
Daniel Menendez Crespo
,
Aurora Costales
,
Evelio Francisco
DOI
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