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Journal of Computational Chemistry
|
April 10, 2016
Scrutinizing "Invisible" astatine: A challenge for modern density functionals
Dumitru-Claudiu Sergentu, Grégoire David, Gilles Montavon, et al.
The Journal of Chemical Physics
|
September 24, 2015
Electronic structures and geometries of the XF3 (X = Cl, Br, I, At) fluorides
Dumitru-Claudiu Sergentu, Mohamed Amaouch, Julien Pilmé, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 15, 2016
Unraveling the hydration-induced ground-state change of AtO<sup>+</sup> by relativistic and multiconfigurational wave-function-based methods
Dumitru-Claudiu Sergentu, Florent Réal, Gilles Montavon, et al.
Acta Crystallographica. Section B, Structural Science
|
May 21, 2008
Hydrogen-bonding properties of galanthamine: an investigation through crystallographic database observations and computational chemistry
Soleymane Koné, Nicolas Galland, El Hadji Sawaliho Bamba, et al.
Inorganic Chemistry
|
August 17, 2022
Pourbaix Diagram of Astatine Revisited: Experimental Investigations
Lu Liu, Rémi Maurice, Nicolas Galland, et al.
Molecules (Basel, Switzerland)
|
August 7, 2021
Astatine Facing Janus: Halogen Bonding vs. Charge-Shift Bonding
Serigne Sarr, Julien Pilmé, Gilles Montavon, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
QTAIM Analysis in the Context of Quasirelativistic Quantum Calculations
Julien Pilmé, Eric Renault, Fadel Bassal, et al.
Journal of Mass Spectrometry : JMS
|
January 22, 2011
Non-thermal internal energy distribution of ions observed in an electrospray source interfaced with a sector mass spectrometer
David Rondeau, Nicolas Galland, Emilie-Laure Zins, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 20, 2011
Assessment of an effective quasirelativistic methodology designed to study astatine chemistry in aqueous solution
Julie Champion, Mahamadou Seydou, Andrea Sabatié-Gogova, et al.
Journal of Computational Chemistry
|
August 5, 2017
The bonding picture in hypervalent XF<sub>3</sub> (X = Cl, Br, I, At) fluorides revisited with quantum chemical topology
Mohamed Amaouch, Dumitru-Claudiu Sergentu, David Steinmetz, et al.
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of 6
Search research articles
Search
Showing results (11-20 of 53) with videos related to
Sort By:
Page
of 6
Journal of Computational Chemistry
|
April 10, 2016
Scrutinizing "Invisible" astatine: A challenge for modern density functionals
Dumitru-Claudiu Sergentu, Grégoire David, Gilles Montavon, et al.
The Journal of Chemical Physics
|
September 24, 2015
Electronic structures and geometries of the XF3 (X = Cl, Br, I, At) fluorides
Dumitru-Claudiu Sergentu, Mohamed Amaouch, Julien Pilmé, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 15, 2016
Unraveling the hydration-induced ground-state change of AtO<sup>+</sup> by relativistic and multiconfigurational wave-function-based methods
Dumitru-Claudiu Sergentu, Florent Réal, Gilles Montavon, et al.
Acta Crystallographica. Section B, Structural Science
|
May 21, 2008
Hydrogen-bonding properties of galanthamine: an investigation through crystallographic database observations and computational chemistry
Soleymane Koné, Nicolas Galland, El Hadji Sawaliho Bamba, et al.
Inorganic Chemistry
|
August 17, 2022
Pourbaix Diagram of Astatine Revisited: Experimental Investigations
Lu Liu, Rémi Maurice, Nicolas Galland, et al.
Molecules (Basel, Switzerland)
|
August 7, 2021
Astatine Facing Janus: Halogen Bonding vs. Charge-Shift Bonding
Serigne Sarr, Julien Pilmé, Gilles Montavon, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
QTAIM Analysis in the Context of Quasirelativistic Quantum Calculations
Julien Pilmé, Eric Renault, Fadel Bassal, et al.
Journal of Mass Spectrometry : JMS
|
January 22, 2011
Non-thermal internal energy distribution of ions observed in an electrospray source interfaced with a sector mass spectrometer
David Rondeau, Nicolas Galland, Emilie-Laure Zins, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 20, 2011
Assessment of an effective quasirelativistic methodology designed to study astatine chemistry in aqueous solution
Julie Champion, Mahamadou Seydou, Andrea Sabatié-Gogova, et al.
Journal of Computational Chemistry
|
August 5, 2017
The bonding picture in hypervalent XF<sub>3</sub> (X = Cl, Br, I, At) fluorides revisited with quantum chemical topology
Mohamed Amaouch, Dumitru-Claudiu Sergentu, David Steinmetz, et al.
Page
of 6