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The Journal of Physical Chemistry. A
|
February 20, 2010
Charge transfer in uranyl(VI) halides [UO2X4]2- (X = F, Cl, Br, and I). A quantum chemical study of the absorption spectra
Fernando Ruipérez, Ulf Wahlgren
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 9, 2025
Dual Lewis Acid-Base Molecular Cages Facilitate Cooperative N<sub>2</sub> Activation: Insights from Theory
Holliness Nose, Fernando Ruipérez
Physical Chemistry Chemical Physics : PCCP
|
April 23, 2016
Dihydrogen bond interactions as a result of H2 cleavage at Cu, Ag and Au centres
Sławomir J Grabowski, Fernando Ruipérez
Journal of Molecular Modeling
|
March 14, 2016
Evaluation of modern DFT functionals and G3n-RAD composite methods in the modelization of organic singlet diradicals
Diego López-Carballeira, Fernando Ruipérez
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
June 28, 2017
π⋅⋅⋅H<sup>+</sup> ⋅⋅⋅π Hydrogen Bonds and Their Lithium and Gold Analogues: MP2 and CASPT2 Calculations
Sławomir J Grabowski, Fernando Ruipérez
The Journal of Chemical Physics
|
January 7, 2006
Quantum chemical study of 4f-->5d excitations of trivalent lanthanide ions doped in the cubic elpasolite Cs2NaYCl6. Ce3+ to Tb3+
Fernando Ruipérez, Zoila Barandiarán, Luis Seijo
Journal of Chemical Theory and Computation
|
September 14, 2021
Mild Open-Shell Character of BODIPY and Its Impact on Singlet and Triplet Excitation Energies
Verònica Postils, Fernando Ruipérez, David Casanova
The Journal of Chemical Physics
|
October 16, 2007
Detailed interpretation of the 5f-6d absorption spectrum of U3+ in Cs2NaYCl6 and high pressure effects based on an ab initio simulation
Fernando Ruipérez, Zoila Barandiarán, Luis Seijo
The Journal of Chemical Physics
|
July 13, 2005
Prediction of pressure-induced redshift of f1-->d(t2g)1 excitations in Cs2NaYCl6:Ce3+ and its connection with bond-length shortening
Fernando Ruipérez, Luis Seijo, Zoila Barandiarán
Journal of Molecular Modeling
|
September 4, 2012
Computational study of Be2 using Piris natural orbital functionals
Jon M Matxain, Fernando Ruipérez, Mario Piris
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of 5
Search research articles
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Showing results (1-10 of 48) with videos related to
Sort By:
Page
of 5
The Journal of Physical Chemistry. A
|
February 20, 2010
Charge transfer in uranyl(VI) halides [UO2X4]2- (X = F, Cl, Br, and I). A quantum chemical study of the absorption spectra
Fernando Ruipérez, Ulf Wahlgren
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 9, 2025
Dual Lewis Acid-Base Molecular Cages Facilitate Cooperative N<sub>2</sub> Activation: Insights from Theory
Holliness Nose, Fernando Ruipérez
Physical Chemistry Chemical Physics : PCCP
|
April 23, 2016
Dihydrogen bond interactions as a result of H2 cleavage at Cu, Ag and Au centres
Sławomir J Grabowski, Fernando Ruipérez
Journal of Molecular Modeling
|
March 14, 2016
Evaluation of modern DFT functionals and G3n-RAD composite methods in the modelization of organic singlet diradicals
Diego López-Carballeira, Fernando Ruipérez
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
June 28, 2017
π⋅⋅⋅H<sup>+</sup> ⋅⋅⋅π Hydrogen Bonds and Their Lithium and Gold Analogues: MP2 and CASPT2 Calculations
Sławomir J Grabowski, Fernando Ruipérez
The Journal of Chemical Physics
|
January 7, 2006
Quantum chemical study of 4f-->5d excitations of trivalent lanthanide ions doped in the cubic elpasolite Cs2NaYCl6. Ce3+ to Tb3+
Fernando Ruipérez, Zoila Barandiarán, Luis Seijo
Journal of Chemical Theory and Computation
|
September 14, 2021
Mild Open-Shell Character of BODIPY and Its Impact on Singlet and Triplet Excitation Energies
Verònica Postils, Fernando Ruipérez, David Casanova
The Journal of Chemical Physics
|
October 16, 2007
Detailed interpretation of the 5f-6d absorption spectrum of U3+ in Cs2NaYCl6 and high pressure effects based on an ab initio simulation
Fernando Ruipérez, Zoila Barandiarán, Luis Seijo
The Journal of Chemical Physics
|
July 13, 2005
Prediction of pressure-induced redshift of f1-->d(t2g)1 excitations in Cs2NaYCl6:Ce3+ and its connection with bond-length shortening
Fernando Ruipérez, Luis Seijo, Zoila Barandiarán
Journal of Molecular Modeling
|
September 4, 2012
Computational study of Be2 using Piris natural orbital functionals
Jon M Matxain, Fernando Ruipérez, Mario Piris
Page
of 5