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Inorganic Chemistry
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September 9, 2025
Unusual Core-Ionization Pathways in Hydrated Na<sup>+</sup>: A Theoretical K<sup>-2</sup>V Study
Stéphane Carniato
The Journal of Chemical Physics
|
June 22, 2007
Anharmonicity and tunneling effects in revisited vibrational O(1s) photoelectron spectrum of water gas phase
Stéphane Carniato
Physical Chemistry Chemical Physics : PCCP
|
September 28, 2022
Valence-shell ionization of acetyl cyanide: simulation of the photoelectron and infra-red spectra
Stéphane Carniato
The Journal of Chemical Physics
|
October 23, 2012
Ab initio study of low-lying excited states of HCl: accurate calculations of optical valence-shell excitations
Selma Engin, Nicolas Sisourat, Stéphane Carniato
The Journal of Chemical Physics
|
May 28, 2005
Functional and basis set dependence of K-edge shake-up spectra of molecules
Barbara Brena, Stéphane Carniato, Yi Luo
The Journal of Physical Chemistry. A
|
April 27, 2026
The Cu L-edge XPS Spectrum of Copper Phthalocyanine: Quantitative Ab Initio Analysis Including Spin-Orbit Coupling and Löwdin Nonorthogonal Determinant Overlaps
Rabah Benbalagh, Gildas Goldsztejn, Stéphane Carniato
The Journal of Chemical Physics
|
October 9, 2023
Unraveling the variational breakdown of core valence separation calculations: Diagnostic and cure to the over relaxation error of double core hole states
Anthony Ferté, Emmanuel Giner, Richard Taïeb, et al.
The Journal of Chemical Physics
|
December 17, 2005
N-K near-edge x-ray-absorption fine structures of acetonitrile in gas phase
Stéphane Carniato, Richard Taïeb, Edwin Kukk, et al.
The Journal of Chemical Physics
|
June 24, 2020
Using principal component analysis for neural network high-dimensional potential energy surface
Bastien Casier, Stéphane Carniato, Tsveta Miteva, et al.
The Journal of Physical Chemistry. A
|
April 5, 2013
Raman chirped adiabatic passage probed by X-ray spectroscopy
Selma Engin, Nicolas Sisourat, Patricia Selles, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 28) with videos related to
Sort By:
Page
of 3
Inorganic Chemistry
|
September 9, 2025
Unusual Core-Ionization Pathways in Hydrated Na<sup>+</sup>: A Theoretical K<sup>-2</sup>V Study
Stéphane Carniato
The Journal of Chemical Physics
|
June 22, 2007
Anharmonicity and tunneling effects in revisited vibrational O(1s) photoelectron spectrum of water gas phase
Stéphane Carniato
Physical Chemistry Chemical Physics : PCCP
|
September 28, 2022
Valence-shell ionization of acetyl cyanide: simulation of the photoelectron and infra-red spectra
Stéphane Carniato
The Journal of Chemical Physics
|
October 23, 2012
Ab initio study of low-lying excited states of HCl: accurate calculations of optical valence-shell excitations
Selma Engin, Nicolas Sisourat, Stéphane Carniato
The Journal of Chemical Physics
|
May 28, 2005
Functional and basis set dependence of K-edge shake-up spectra of molecules
Barbara Brena, Stéphane Carniato, Yi Luo
The Journal of Physical Chemistry. A
|
April 27, 2026
The Cu L-edge XPS Spectrum of Copper Phthalocyanine: Quantitative Ab Initio Analysis Including Spin-Orbit Coupling and Löwdin Nonorthogonal Determinant Overlaps
Rabah Benbalagh, Gildas Goldsztejn, Stéphane Carniato
The Journal of Chemical Physics
|
October 9, 2023
Unraveling the variational breakdown of core valence separation calculations: Diagnostic and cure to the over relaxation error of double core hole states
Anthony Ferté, Emmanuel Giner, Richard Taïeb, et al.
The Journal of Chemical Physics
|
December 17, 2005
N-K near-edge x-ray-absorption fine structures of acetonitrile in gas phase
Stéphane Carniato, Richard Taïeb, Edwin Kukk, et al.
The Journal of Chemical Physics
|
June 24, 2020
Using principal component analysis for neural network high-dimensional potential energy surface
Bastien Casier, Stéphane Carniato, Tsveta Miteva, et al.
The Journal of Physical Chemistry. A
|
April 5, 2013
Raman chirped adiabatic passage probed by X-ray spectroscopy
Selma Engin, Nicolas Sisourat, Patricia Selles, et al.
Page
of 3