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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
Physical Chemistry Chemical Physics : PCCP
|
May 8, 2025
Capturing electronic substituent effect with effective atomic orbitals
Gerard Comas-Vilà, Pedro Salvador
The Journal of Chemical Physics
|
August 24, 2013
Communication: An approximation to Bader's topological atom
Pedro Salvador, Eloy Ramos-Cordoba
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
Physical Chemistry Chemical Physics : PCCP
|
April 15, 2014
Diradical character from the local spin analysis
Eloy Ramos-Cordoba, Pedro Salvador
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 19, 2015
Characterization and Quantification of Polyradical Character
Eloy Ramos-Cordoba, 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
The Journal of Chemical Physics
|
April 17, 2008
Intramolecular basis set superposition error effects on the planarity of benzene and other aromatic molecules: a solution to the problem
David Asturiol, Miquel Duran, Pedro Salvador
Page
of 11
Search research articles
Search
Showing results (1-10 of 106) with videos related to
Sort By:
Page
of 11
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
Physical Chemistry Chemical Physics : PCCP
|
May 8, 2025
Capturing electronic substituent effect with effective atomic orbitals
Gerard Comas-Vilà, Pedro Salvador
The Journal of Chemical Physics
|
August 24, 2013
Communication: An approximation to Bader's topological atom
Pedro Salvador, Eloy Ramos-Cordoba
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
Physical Chemistry Chemical Physics : PCCP
|
April 15, 2014
Diradical character from the local spin analysis
Eloy Ramos-Cordoba, Pedro Salvador
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 19, 2015
Characterization and Quantification of Polyradical Character
Eloy Ramos-Cordoba, 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
The Journal of Chemical Physics
|
April 17, 2008
Intramolecular basis set superposition error effects on the planarity of benzene and other aromatic molecules: a solution to the problem
David Asturiol, Miquel Duran, Pedro Salvador
Page
of 11