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The Journal of Physical Chemistry. A
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December 4, 2019
Dyson Orbitals and Double Rydberg Anions: Methylated, Annulated, and Paramagnetic
Manuel Díaz-Tinoco, 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
Physical Chemistry Chemical Physics : PCCP
|
May 20, 2016
Comment on "Is the regulation of the electronic properties of organic molecules by polynuclear superhalogens more effective than that by mononuclear superhalogens? A high-level ab initio case study" by M.-M. Li, J.-F. Li, H.-C. Bai, Y.-Y. Sun, J.-L. Li and B. Yin, Phys. Chem. Chem. Phys., 2015, 17, 20338
Manuel Díaz-Tinoco, J V Ortiz
The Journal of Chemical Physics
|
October 27, 2016
Comment on "Are polynuclear superhalogens without halogen atoms probable? A high-level ab initio case study on triple-bridged binuclear anions with cyanide ligands" [J. Chem. Phys. 140, 094301 (2014)]
Manuel Díaz-Tinoco, J V Ortiz
Physical Chemistry Chemical Physics : PCCP
|
June 9, 2020
On the order problem in construction of unitary operators for the variational quantum eigensolver
Artur F Izmaylov, Manuel Díaz-Tinoco, Robert A Lang
Journal of Chemical Theory and Computation
|
September 26, 2018
Electron Propagator Methods for Vertical Electron Detachment Energies of Anions: Benchmarks and Case Studies
Manuel Díaz-Tinoco, H H Corzo, J V Ortiz
The Journal of Chemical Physics
|
June 17, 2016
Composite electron propagator methods for calculating ionization energies
Manuel Díaz-Tinoco, O Dolgounitcheva, V G Zakrzewski, et al.
The Journal of Chemical Physics
|
May 24, 2013
A generalized any-particle propagator theory: prediction of proton affinities and acidity properties with the proton propagator
Manuel Díaz-Tinoco, Jonathan Romero, J V Ortiz, et al.
Journal of Chemical Theory and Computation
|
February 27, 2025
Automatic Generation of Even-Tempered Auxiliary Basis Sets with Shared Exponents for Density Fitting
Manuel Díaz-Tinoco, Roberto Flores-Moreno, Bernardo A Zúñiga-Gutiérrez, et al.
Journal of Chemical Theory and Computation
|
December 17, 2016
Correction to Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods
O Dolgounitcheva, Manuel Díaz-Tinoco, V G Zakrzewski, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 13) with videos related to
Sort By:
Page
of 2
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
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
Physical Chemistry Chemical Physics : PCCP
|
May 20, 2016
Comment on "Is the regulation of the electronic properties of organic molecules by polynuclear superhalogens more effective than that by mononuclear superhalogens? A high-level ab initio case study" by M.-M. Li, J.-F. Li, H.-C. Bai, Y.-Y. Sun, J.-L. Li and B. Yin, Phys. Chem. Chem. Phys., 2015, 17, 20338
Manuel Díaz-Tinoco, J V Ortiz
The Journal of Chemical Physics
|
October 27, 2016
Comment on "Are polynuclear superhalogens without halogen atoms probable? A high-level ab initio case study on triple-bridged binuclear anions with cyanide ligands" [J. Chem. Phys. 140, 094301 (2014)]
Manuel Díaz-Tinoco, J V Ortiz
Physical Chemistry Chemical Physics : PCCP
|
June 9, 2020
On the order problem in construction of unitary operators for the variational quantum eigensolver
Artur F Izmaylov, Manuel Díaz-Tinoco, Robert A Lang
Journal of Chemical Theory and Computation
|
September 26, 2018
Electron Propagator Methods for Vertical Electron Detachment Energies of Anions: Benchmarks and Case Studies
Manuel Díaz-Tinoco, H H Corzo, J V Ortiz
The Journal of Chemical Physics
|
June 17, 2016
Composite electron propagator methods for calculating ionization energies
Manuel Díaz-Tinoco, O Dolgounitcheva, V G Zakrzewski, et al.
The Journal of Chemical Physics
|
May 24, 2013
A generalized any-particle propagator theory: prediction of proton affinities and acidity properties with the proton propagator
Manuel Díaz-Tinoco, Jonathan Romero, J V Ortiz, et al.
Journal of Chemical Theory and Computation
|
February 27, 2025
Automatic Generation of Even-Tempered Auxiliary Basis Sets with Shared Exponents for Density Fitting
Manuel Díaz-Tinoco, Roberto Flores-Moreno, Bernardo A Zúñiga-Gutiérrez, et al.
Journal of Chemical Theory and Computation
|
December 17, 2016
Correction to Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods
O Dolgounitcheva, Manuel Díaz-Tinoco, V G Zakrzewski, et al.
Page
of 2