Diego Inostroza

Sorbonne Université — France

Materials Science · Physical Sciences

13h-index791citations43works3.12yr avg
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Research Topics

Boron and Carbon Nanomaterials Research(18), Advanced Chemical Physics Studies(10), Synthesis and Properties of Aromatic Compounds(10), Machine Learning in Materials Science(9), Inorganic Chemistry and Materials(8)

Publications43 total

From Aromatic Motifs to Cluster-Assembled Materials: Silicon–Lithium Nanoclusters for Hydrogen Storage Applications
Molecules·2025Open Access
From Aromatic Motifs to Cluster-Assembled Materials: Silicon–Lithium Nanoclusters for Hydrogen Storage Applications
Preprints.org·2025Open Access
Decomposition Analysis for Visualization of Noncovalent Interactions Based on the Fragment Molecular Orbital Method
Journal of Chemical Theory and Computation·2025· 3 cited
Doubly σ- and π-aromatic planar pentacoordinate boron polyanions
Chemical Communications·2024· 7 cited
TcESTIME: predicting high-temperature hydrogen-based superconductors
Chemical Science·2024· 4 citedOpen Access
Introducing KICK-MEP: exploring potential energy surfaces in systems with significant non-covalent interactions
Journal of Molecular Modeling·2024· 7 cited
Deciphering the Molecular Interaction Process of Gallium Maltolate on SARS-CoV-2 Main and Papain-Like Proteases: A Theoretical Study
Biophysica·2024· 1 citedOpen Access
Li<sub>6</sub>E<sub>5</sub>Li<sub>6</sub>: Tetrel Sandwich Complexes with 10‐π‐Electrons
Angewandte Chemie International Edition·2023· 4 citedOpen Access
Li<sub>6</sub>E<sub>5</sub>Li<sub>6</sub>: Tetrel Sandwich Complexes with 10‐π‐Electrons
Angewandte Chemie·2023· 2 cited
Aromaticity and Magnetic Behavior in Benzenoids: Unraveling Ring Current Combinations
Chemistry - A European Journal·2023· 21 cited
Proposition d'une méthode accélérée utilisant des descripteurs de réactivité pour explorer les surfaces d'énergie potentielle dans les amas atomiques
SPIRE - Sciences Po Institutional REpository·2023Open Access
Exploring the Potential Energy Surface of Medium-Sized Aromatic Polycyclic Systems with Embedded Planar Tetracoordinate Carbons: A Guided Approach
Chemistry·2023· 1 citedOpen Access
Exploring the Potential Energy Surface of Medium-Sized Aromatic Polycyclic Systems with Embedded Planar Tetracoordinate Carbons: A Guided Approach
Preprints.org·2023· 1 citedOpen Access
Searching for Systems with Planar Hexacoordinate Carbons
Atoms·2023· 6 citedOpen Access
Exploration of the potential energy surface in mixed Zintl clusters applying an automatic Johnson polyhedra generator: the case of <i>arachno</i> E<sub>6</sub>M<sub>2</sub><sup>4−</sup> (E = Si, Ge, Sn; M = Sb, Bi)
RSC Advances·2023· 1 citedOpen Access
Revisiting the potential-energy surface of C<sub><i>n</i></sub>Be<sub>3<i>n</i>+2</sub>H<sub>2<i>n</i>+2</sub><sup>2+</sup> (<i>n</i> = 2–4) clusters: are planar pentacoordinate carbon structures the global minima?
Physical Chemistry Chemical Physics·2023· 3 cited
Structure prediction using reactivity descriptors
Elsevier eBooks·2023· 3 cited
Contributors
Elsevier eBooks·2023
Planar Elongated B12 Structure in M3B12 Clusters (M = Cu-Au)
Molecules·2022Open Access
Si<sub>5</sub>-pentagonal rings and Y-shaped Si<sub>4</sub>building blocks in Li<sub>32</sub>Si<sub>18</sub>system: similarities with the crystalline Zintl phase Li<sub>12</sub>Si<sub>7</sub>
Molecular Systems Design & Engineering·2022
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Frequent Co-authors

William Tiznado(38), Osvaldo Yáñez(31), Luis Leyva‐Parra(24), Alejandro Vásquez‐Espinal(22), Ricardo Pino‐Rios(16), José Solar‐Encinas(8), Gabriel Merino(7), Rodrigo Báez‐Grez(7), Jorge Garza(7), Lina Ruíz(6), Jorge Barroso(6), Venkatesan S. Thimmakondu(6), Carlos Cárdenas(5), Luz Diego(5), Víctor García García(5), Williams García-Argote(5), Julia Contreras‐García(4), Julio César Cruz(4), Sudip Pan(3), Walter Orellana(3)