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The Journal of Chemical Physics
|
April 9, 2024
How electrons still guard the space: Electron number distribution functions based on QTAIM∩ELF intersections
Daniel Barrena-Espés, Julen Munárriz, Ángel Martín Pendás
International Journal of Molecular Sciences
|
January 8, 2023
Exploring the Potential Energy Surface of Pt<sub>6</sub> Sub-Nano Clusters Deposited over Graphene
Daniel Barrena-Espés, Sergio Boneta, Victor Polo, et al.
Dalton Transactions (Cambridge, England : 2003)
|
March 17, 2023
Cobalt-catalysed nucleophilic fluorination in organic carbonates
Susana García-Abellán, Daniel Barrena-Espés, Julen Munarriz, et al.
Inorganic Chemistry
|
October 22, 2025
Metal-Ligand Cooperation in N-H Activation: Bridging Electron-Pushing Formalism and Energy Descriptors
Daniel Barrena-Espés, Victor Polo, Jorge Echeverría, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 23, 2024
Deciphering Pyramidanes: A Quantum Chemical Topology Approach
Lucía Vidal, Daniel Barrena-Espés, Jorge Echeverría, et al.
Inorganic Chemistry
|
January 3, 2025
Pentafluoroorthotellurate Uncovered: Theoretical Perspectives on an Extremely Electronegative Group
Daniel Barrena-Espés, Ángel Martín Pendás, Sebastian Riedel, et al.
Molecules (Basel, Switzerland)
|
September 23, 2022
A QCT View of the Interplay between Hydrogen Bonds and Aromaticity in Small CHON Derivatives
Miguel Gallegos, Daniel Barrena-Espés, José Manuel Guevara-Vela, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 3, 2026
Decoding Heptazine Architectures: From Molecular Association to Structural Insight
Silvia Del Moral, Daniel Barrena-Espés, Julen Munarriz, et al.
Inorganic Chemistry
|
December 11, 2025
Hemilability Modulation via Phosphane-Triazole Ligand Design: Impact on Catalytic Formic Acid Dehydrogenation
Susana García-Abellán, Andrea Pérez-García, Daniel Barrena-Espés, et al.
Chemical Communications (Cambridge, England)
|
January 3, 2025
Organocatalytic CS<sub>2</sub> insertion into epoxides in neat conditions: a straightforward approach for the efficient synthesis of Di- and tri-thiocarbonates
Marcos López-Aguilar, Nicolás Ríos-Lombardía, Miguel Gallegos, et al.
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Search research articles
Search
Showing results (1-10 of 13) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
April 9, 2024
How electrons still guard the space: Electron number distribution functions based on QTAIM∩ELF intersections
Daniel Barrena-Espés, Julen Munárriz, Ángel Martín Pendás
International Journal of Molecular Sciences
|
January 8, 2023
Exploring the Potential Energy Surface of Pt<sub>6</sub> Sub-Nano Clusters Deposited over Graphene
Daniel Barrena-Espés, Sergio Boneta, Victor Polo, et al.
Dalton Transactions (Cambridge, England : 2003)
|
March 17, 2023
Cobalt-catalysed nucleophilic fluorination in organic carbonates
Susana García-Abellán, Daniel Barrena-Espés, Julen Munarriz, et al.
Inorganic Chemistry
|
October 22, 2025
Metal-Ligand Cooperation in N-H Activation: Bridging Electron-Pushing Formalism and Energy Descriptors
Daniel Barrena-Espés, Victor Polo, Jorge Echeverría, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 23, 2024
Deciphering Pyramidanes: A Quantum Chemical Topology Approach
Lucía Vidal, Daniel Barrena-Espés, Jorge Echeverría, et al.
Inorganic Chemistry
|
January 3, 2025
Pentafluoroorthotellurate Uncovered: Theoretical Perspectives on an Extremely Electronegative Group
Daniel Barrena-Espés, Ángel Martín Pendás, Sebastian Riedel, et al.
Molecules (Basel, Switzerland)
|
September 23, 2022
A QCT View of the Interplay between Hydrogen Bonds and Aromaticity in Small CHON Derivatives
Miguel Gallegos, Daniel Barrena-Espés, José Manuel Guevara-Vela, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 3, 2026
Decoding Heptazine Architectures: From Molecular Association to Structural Insight
Silvia Del Moral, Daniel Barrena-Espés, Julen Munarriz, et al.
Inorganic Chemistry
|
December 11, 2025
Hemilability Modulation via Phosphane-Triazole Ligand Design: Impact on Catalytic Formic Acid Dehydrogenation
Susana García-Abellán, Andrea Pérez-García, Daniel Barrena-Espés, et al.
Chemical Communications (Cambridge, England)
|
January 3, 2025
Organocatalytic CS<sub>2</sub> insertion into epoxides in neat conditions: a straightforward approach for the efficient synthesis of Di- and tri-thiocarbonates
Marcos López-Aguilar, Nicolás Ríos-Lombardía, Miguel Gallegos, et al.
Page
of 2