Search research articles
Contact Us
Filters
Showing results (1-10 of 31) with videos related to
Page
of 4
Sort By:
Physical Chemistry Chemical Physics : PCCP
|
December 1, 2017
On the calculation of multiplet energies of three-open-shell 4f<sup>13</sup>5f<sup>n</sup>6d<sup>1</sup> electron configuration by LFDFT: modeling the optical spectra of 4f core-electron excitation in actinide compounds
Harry Ramanantoanina
The Journal of Chemical Physics
|
August 10, 2018
A DFT-based theoretical model for the calculation of spectral profiles of lanthanide M<sub>4,5</sub>-edge x-ray absorption
Harry Ramanantoanina
Journal of Molecular Modeling
|
July 28, 2017
Electronic fine structure calculation of metal complexes with three-open-shell s, d, and p configurations
Harry Ramanantoanina, Claude Daul
Physical Chemistry Chemical Physics : PCCP
|
July 27, 2017
A non-empirical calculation of 2p core-electron excitation in compounds with 3d transition metal ions using ligand-field and density functional theory (LFDFT)
Harry Ramanantoanina, Claude Daul
Physical Chemistry Chemical Physics : PCCP
|
July 13, 2013
Ligand field density functional theory calculation of the 4f2→ 4f15d1 transitions in the quantum cutter Cs2KYF6:Pr3+
Harry Ramanantoanina, Werner Urland, Fanica Cimpoesu, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 30, 2016
Core electron excitations in U(4+): modelling of the nd(10)5f(2)→nd(9)5f(3) transitions with n = 3, 4 and 5 by ligand field tools and density functional theory
Harry Ramanantoanina, Goutam Kuri, Claude Daul, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 2, 2019
Study of electronic structure in the L-edge spectroscopy of actinide materials: UO<sub>2</sub> as an example
Harry Ramanantoanina, Goutam Kuri, Matthias Martin, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 14, 2014
The angular overlap model extended for two-open-shell f and d electrons
Harry Ramanantoanina, Werner Urland, Fanica Cimpoesu, et al.
Chemical Communications (Cambridge, England)
|
February 21, 2019
Non-empirical calculation of X-ray magnetic circular dichroism in lanthanide compounds
Harry Ramanantoanina, Michał Studniarek, Niéli Daffé, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 12, 2015
Tailoring the optical properties of lanthanide phosphors: prediction and characterization of the luminescence of Pr(3+)-doped LiYF4
Harry Ramanantoanina, Werner Urland, Benjamin Herden, et al.
Page
of 4
Search research articles
Search
Showing results (1-10 of 31) with videos related to
Sort By:
Page
of 4
Physical Chemistry Chemical Physics : PCCP
|
December 1, 2017
On the calculation of multiplet energies of three-open-shell 4f<sup>13</sup>5f<sup>n</sup>6d<sup>1</sup> electron configuration by LFDFT: modeling the optical spectra of 4f core-electron excitation in actinide compounds
Harry Ramanantoanina
The Journal of Chemical Physics
|
August 10, 2018
A DFT-based theoretical model for the calculation of spectral profiles of lanthanide M<sub>4,5</sub>-edge x-ray absorption
Harry Ramanantoanina
Journal of Molecular Modeling
|
July 28, 2017
Electronic fine structure calculation of metal complexes with three-open-shell s, d, and p configurations
Harry Ramanantoanina, Claude Daul
Physical Chemistry Chemical Physics : PCCP
|
July 27, 2017
A non-empirical calculation of 2p core-electron excitation in compounds with 3d transition metal ions using ligand-field and density functional theory (LFDFT)
Harry Ramanantoanina, Claude Daul
Physical Chemistry Chemical Physics : PCCP
|
July 13, 2013
Ligand field density functional theory calculation of the 4f2→ 4f15d1 transitions in the quantum cutter Cs2KYF6:Pr3+
Harry Ramanantoanina, Werner Urland, Fanica Cimpoesu, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 30, 2016
Core electron excitations in U(4+): modelling of the nd(10)5f(2)→nd(9)5f(3) transitions with n = 3, 4 and 5 by ligand field tools and density functional theory
Harry Ramanantoanina, Goutam Kuri, Claude Daul, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 2, 2019
Study of electronic structure in the L-edge spectroscopy of actinide materials: UO<sub>2</sub> as an example
Harry Ramanantoanina, Goutam Kuri, Matthias Martin, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 14, 2014
The angular overlap model extended for two-open-shell f and d electrons
Harry Ramanantoanina, Werner Urland, Fanica Cimpoesu, et al.
Chemical Communications (Cambridge, England)
|
February 21, 2019
Non-empirical calculation of X-ray magnetic circular dichroism in lanthanide compounds
Harry Ramanantoanina, Michał Studniarek, Niéli Daffé, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 12, 2015
Tailoring the optical properties of lanthanide phosphors: prediction and characterization of the luminescence of Pr(3+)-doped LiYF4
Harry Ramanantoanina, Werner Urland, Benjamin Herden, et al.
Page
of 4