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The Journal of Physical Chemistry. A
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April 22, 2021
Ionization Energies and Dyson Orbitals of the Iso-electronic SO<sub>2</sub>, O<sub>3</sub>, and S<sub>3</sub> Molecules from Electron Propagator Calculations
Filip Pawłowski, Joseph Vincent Ortiz
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
June 16, 2016
Comment on: "Probing the Properties of Polynuclear Superhalogens without Halogen Ligand via ab Initio Calculations: A Case Study on Double-Bridged [Mg2 (CN)5 ](-1) Anions" by Li et al
Manuel Díaz-Tinoco, Joseph Vincent Ortiz
The Journal of Physical Chemistry. A
|
December 4, 2019
Dyson Orbitals and Double Rydberg Anions: Methylated, Annulated, and Paramagnetic
Manuel Díaz-Tinoco, Joseph Vincent Ortiz
The Journal of Chemical Physics
|
July 9, 2021
Electron binding energies and Dyson orbitals of O<sub>n</sub>H<sub>2n+1</sub> <sup>+,0,-</sup> clusters: Double Rydberg anions, Rydberg radicals, and micro-solvated hydronium cations
Ernest Opoku, Filip Pawłowski, Joseph Vincent Ortiz
Physical Chemistry Chemical Physics : PCCP
|
July 26, 2022
Double Rydberg anions, Rydberg radicals and micro-solvated cations with ammonium-water kernels
Ernest Opoku, Filip Pawłowski, Joseph Vincent Ortiz
The Journal of Physical Chemistry. A
|
September 21, 2007
Removing electrons can increase the electron density: a computational study of negative Fukui functions
Junia Melin, Paul W Ayers, Joseph Vincent Ortiz
The Journal of Chemical Physics
|
August 8, 2021
Complete-active-space extended Koopmans theorem method
Ernest R Davidson, Joseph Vincent Ortiz, Viktor N Staroverov
The Journal of Chemical Physics
|
September 2, 2021
Publisher's Note: "Complete-active-space extended Koopmans theorem method" [J. Chem. Phys. 155, 051102 (2021)]
Ernest R Davidson, Joseph Vincent Ortiz, Viktor N Staroverov
Physical Chemistry Chemical Physics : PCCP
|
September 14, 2018
Molecules mimicking atoms: monomers and dimers of alkali metal solvated electron precursors
Isuru R Ariyarathna, Filip Pawłowski, Joseph Vincent Ortiz, et al.
The Journal of Physical Chemistry. A
|
October 23, 2019
Aufbau Principle for Diffuse Electrons of Double-Shell Metal Ammonia Complexes: The Case of M(NH<sub>3</sub>)<sub>4</sub>@12NH<sub>3</sub>, M = Li, Be<sup>+</sup>, B<sup>2</sup>
Isuru R Ariyarathna, Filip Pawłowski, Joseph Vincent Ortiz, et al.
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Search research articles
Search
Showing results (1-10 of 15) with videos related to
Sort By:
Page
of 2
The Journal of Physical Chemistry. A
|
April 22, 2021
Ionization Energies and Dyson Orbitals of the Iso-electronic SO<sub>2</sub>, O<sub>3</sub>, and S<sub>3</sub> Molecules from Electron Propagator Calculations
Filip Pawłowski, Joseph Vincent Ortiz
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
June 16, 2016
Comment on: "Probing the Properties of Polynuclear Superhalogens without Halogen Ligand via ab Initio Calculations: A Case Study on Double-Bridged [Mg2 (CN)5 ](-1) Anions" by Li et al
Manuel Díaz-Tinoco, Joseph Vincent Ortiz
The Journal of Physical Chemistry. A
|
December 4, 2019
Dyson Orbitals and Double Rydberg Anions: Methylated, Annulated, and Paramagnetic
Manuel Díaz-Tinoco, Joseph Vincent Ortiz
The Journal of Chemical Physics
|
July 9, 2021
Electron binding energies and Dyson orbitals of O<sub>n</sub>H<sub>2n+1</sub> <sup>+,0,-</sup> clusters: Double Rydberg anions, Rydberg radicals, and micro-solvated hydronium cations
Ernest Opoku, Filip Pawłowski, Joseph Vincent Ortiz
Physical Chemistry Chemical Physics : PCCP
|
July 26, 2022
Double Rydberg anions, Rydberg radicals and micro-solvated cations with ammonium-water kernels
Ernest Opoku, Filip Pawłowski, Joseph Vincent Ortiz
The Journal of Physical Chemistry. A
|
September 21, 2007
Removing electrons can increase the electron density: a computational study of negative Fukui functions
Junia Melin, Paul W Ayers, Joseph Vincent Ortiz
The Journal of Chemical Physics
|
August 8, 2021
Complete-active-space extended Koopmans theorem method
Ernest R Davidson, Joseph Vincent Ortiz, Viktor N Staroverov
The Journal of Chemical Physics
|
September 2, 2021
Publisher's Note: "Complete-active-space extended Koopmans theorem method" [J. Chem. Phys. 155, 051102 (2021)]
Ernest R Davidson, Joseph Vincent Ortiz, Viktor N Staroverov
Physical Chemistry Chemical Physics : PCCP
|
September 14, 2018
Molecules mimicking atoms: monomers and dimers of alkali metal solvated electron precursors
Isuru R Ariyarathna, Filip Pawłowski, Joseph Vincent Ortiz, et al.
The Journal of Physical Chemistry. A
|
October 23, 2019
Aufbau Principle for Diffuse Electrons of Double-Shell Metal Ammonia Complexes: The Case of M(NH<sub>3</sub>)<sub>4</sub>@12NH<sub>3</sub>, M = Li, Be<sup>+</sup>, B<sup>2</sup>
Isuru R Ariyarathna, Filip Pawłowski, Joseph Vincent Ortiz, et al.
Page
of 2