Search research articles
Contact Us
Filters
Showing results (1-10 of 21) with videos related to
Page
of 3
Sort By:
The Journal of Chemical Physics
|
June 16, 2023
Exact decompositions of the total KS-DFT exchange-correlation energy into one- and two-center terms
Martí Gimferrer, Pedro Salvador
The Journal of Chemical Physics
|
April 22, 2026
On the impact of nuclear quantum effects on quantum chemical topology
Martí Gimferrer, Ángel Martín Pendás
Inorganic Chemistry
|
May 26, 2018
Covalent and Ionic Capacity of MOFs To Sorb Small Gas Molecules
Jordi Poater, Martí Gimferrer, Albert Poater
Molecules (Basel, Switzerland)
|
January 16, 2020
Can We Safely Obtain Formal Oxidation States from Centroids of Localized Orbitals?
Martí Gimferrer, Gerard Comas-Vilà, Pedro Salvador
Inorganic Chemistry
|
March 20, 2024
Rhenium Alkyne Catalysis: Sterics Control the Reactivity
Michele Tomasini, Martí Gimferrer, Lucia Caporaso, et al.
Chemical Science
|
May 26, 2025
Accurate vibrational hydrogen-bond shift predictions with multicomponent DFT
Martí Gimferrer, Lukas Hasecke, Margarethe Bödecker, et al.
Inorganic Chemistry
|
November 12, 2021
Unveiling the Electronic Structure of the Bi(+1)/Bi(+3) Redox Couple on NCN and NNN Pincer Complexes
Martí Gimferrer, Sergi Danés, Diego M Andrada, et al.
Journal of Chemical Theory and Computation
|
December 20, 2021
Oxidation State Localized Orbitals: A Method for Assigning Oxidation States Using Optimally Fragment-Localized Orbitals and a Fragment Orbital Localization Index
Martí Gimferrer, Abdulrahman Aldossary, Pedro Salvador, et al.
Journal of Chemical Theory and Computation
|
May 29, 2023
Merging the Energy Decomposition Analysis with the Interacting Quantum Atoms Approach
Martí Gimferrer, Sergi Danés, Diego M Andrada, et al.
The Journal of Physical Chemistry. A
|
April 7, 2025
Addressing Anharmonic Effects with Density-Fitted Multicomponent Density Functional Theory
Lukas Hasecke, Maximilian Breitenbach, Martí Gimferrer, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 21) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
June 16, 2023
Exact decompositions of the total KS-DFT exchange-correlation energy into one- and two-center terms
Martí Gimferrer, Pedro Salvador
The Journal of Chemical Physics
|
April 22, 2026
On the impact of nuclear quantum effects on quantum chemical topology
Martí Gimferrer, Ángel Martín Pendás
Inorganic Chemistry
|
May 26, 2018
Covalent and Ionic Capacity of MOFs To Sorb Small Gas Molecules
Jordi Poater, Martí Gimferrer, Albert Poater
Molecules (Basel, Switzerland)
|
January 16, 2020
Can We Safely Obtain Formal Oxidation States from Centroids of Localized Orbitals?
Martí Gimferrer, Gerard Comas-Vilà, Pedro Salvador
Inorganic Chemistry
|
March 20, 2024
Rhenium Alkyne Catalysis: Sterics Control the Reactivity
Michele Tomasini, Martí Gimferrer, Lucia Caporaso, et al.
Chemical Science
|
May 26, 2025
Accurate vibrational hydrogen-bond shift predictions with multicomponent DFT
Martí Gimferrer, Lukas Hasecke, Margarethe Bödecker, et al.
Inorganic Chemistry
|
November 12, 2021
Unveiling the Electronic Structure of the Bi(+1)/Bi(+3) Redox Couple on NCN and NNN Pincer Complexes
Martí Gimferrer, Sergi Danés, Diego M Andrada, et al.
Journal of Chemical Theory and Computation
|
December 20, 2021
Oxidation State Localized Orbitals: A Method for Assigning Oxidation States Using Optimally Fragment-Localized Orbitals and a Fragment Orbital Localization Index
Martí Gimferrer, Abdulrahman Aldossary, Pedro Salvador, et al.
Journal of Chemical Theory and Computation
|
May 29, 2023
Merging the Energy Decomposition Analysis with the Interacting Quantum Atoms Approach
Martí Gimferrer, Sergi Danés, Diego M Andrada, et al.
The Journal of Physical Chemistry. A
|
April 7, 2025
Addressing Anharmonic Effects with Density-Fitted Multicomponent Density Functional Theory
Lukas Hasecke, Maximilian Breitenbach, Martí Gimferrer, et al.
Page
of 3