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Inorganic Chemistry
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July 23, 2025
Rationalizing Spin-Crossover Properties of Substituted Fe (II) Complexes
Gerard Comas-Vilà, Pedro Salvador
Journal of Chemical Theory and Computation
|
November 22, 2021
Accurate <sup>57</sup>Fe Mössbauer Parameters from General Gaussian Basis Sets
Gerard Comas-Vilà, Pedro Salvador
Physical Chemistry Chemical Physics : PCCP
|
May 8, 2025
Capturing electronic substituent effect with effective atomic orbitals
Gerard Comas-Vilà, Pedro Salvador
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
June 4, 2024
Quantification of the Donor-Acceptor Character of Ligands by the Effective Fragment Orbitals
Gerard Comas-Vilà, Pedro Salvador
Physical Chemistry Chemical Physics : PCCP
|
June 17, 2026
Correction: Capturing electronic substituent effect with effective atomic orbitals
Gerard Comas-Vilà, Pedro Salvador
Inorganic Chemistry
|
April 24, 2026
Diagnosing the Redox Character of Bond Activation by Main Group Centers: Reductive Addition vs Redox-Neutral Insertion as a Case Study
Paola Belanzoni, Gerard Comas-Vilà, Diego Sorbelli
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
Journal of the American Chemical Society
|
May 3, 2023
Does Serial Femtosecond Crystallography Depict State-Specific Catalytic Intermediates of the Oxygen-Evolving Complex?
Maria Drosou, Gerard Comas-Vilà, Frank Neese, et al.
Journal of Chemical Theory and Computation
|
July 3, 2025
Effective Oxidation State Analysis for Solids
Gerard Comas-Vilà, Leila Pujal, Alberto Otero-de-la-Roza, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
Inorganic Chemistry
|
July 23, 2025
Rationalizing Spin-Crossover Properties of Substituted Fe (II) Complexes
Gerard Comas-Vilà, Pedro Salvador
Journal of Chemical Theory and Computation
|
November 22, 2021
Accurate <sup>57</sup>Fe Mössbauer Parameters from General Gaussian Basis Sets
Gerard Comas-Vilà, Pedro Salvador
Physical Chemistry Chemical Physics : PCCP
|
May 8, 2025
Capturing electronic substituent effect with effective atomic orbitals
Gerard Comas-Vilà, Pedro Salvador
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
June 4, 2024
Quantification of the Donor-Acceptor Character of Ligands by the Effective Fragment Orbitals
Gerard Comas-Vilà, Pedro Salvador
Physical Chemistry Chemical Physics : PCCP
|
June 17, 2026
Correction: Capturing electronic substituent effect with effective atomic orbitals
Gerard Comas-Vilà, Pedro Salvador
Inorganic Chemistry
|
April 24, 2026
Diagnosing the Redox Character of Bond Activation by Main Group Centers: Reductive Addition vs Redox-Neutral Insertion as a Case Study
Paola Belanzoni, Gerard Comas-Vilà, Diego Sorbelli
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
Journal of the American Chemical Society
|
May 3, 2023
Does Serial Femtosecond Crystallography Depict State-Specific Catalytic Intermediates of the Oxygen-Evolving Complex?
Maria Drosou, Gerard Comas-Vilà, Frank Neese, et al.
Journal of Chemical Theory and Computation
|
July 3, 2025
Effective Oxidation State Analysis for Solids
Gerard Comas-Vilà, Leila Pujal, Alberto Otero-de-la-Roza, et al.
Page
of 1