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Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
November 25, 2014
Magnetic properties of bcc Iron surfaces and the influence of the chemical environment: electronic structure calculations
Guntram Fischer, Iann C Gerber
Chemical Reviews
|
October 3, 2019
A Theory/Experience Description of Support Effects in Carbon-Supported Catalysts
Iann C Gerber, Philippe Serp
Physical Chemistry Chemical Physics : PCCP
|
April 21, 2015
Theoretical gas to liquid shift of (15)N isotropic nuclear magnetic shielding in nitromethane using ab initio molecular dynamics and GIAO/GIPAW calculations
Iann C Gerber, Franck Jolibois
Journal of Chemical Theory and Computation
|
July 25, 2018
Evaluation of Gas-to-Liquid <sup>17</sup>O Chemical Shift of Water: A Test Case for Molecular and Periodic Approaches
Jérôme Cuny, Franck Jolibois, Iann C Gerber
Physical Chemistry Chemical Physics : PCCP
|
October 27, 2015
Theoretical study of polyiodide formation and stability on monolayer and bilayer graphene
Damien Tristant, Pascal Puech, Iann C Gerber
The Journal of Physical Chemistry. B
|
December 28, 2020
Diversity of the Hydrogen Bond Network and Its Impact on NMR Parameters of Amylose B Polymorph: A Study Using Molecular Dynamics and DFT Calculations Within Periodic Boundary Conditions
Adrien Schahl, Iann C Gerber, Valérie Réat, et al.
Langmuir : the ACS Journal of Surfaces and Colloids
|
September 27, 2014
Surfaces of a colloidal iron nanoparticle in its chemical environment: a DFT description
Guntram Fischer, Romuald Poteau, Sébastien Lachaize, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
July 27, 2019
Dependence of the magnetic interactions in MoS<sub>2</sub> monolayer on Mn-doping configurations
Adlen Smiri, Iann C Gerber, Samir Lounis, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
October 3, 2025
Layer-dependent thermal and thermoelectric properties of hydrogenated 2D diamond
Samir El Masaoudi, Pascal Puech, Fabrice Piazza, et al.
The Journal of Physical Chemistry. A
|
May 14, 2010
Grafting of lanthanide complexes on silica surfaces: a theoretical investigation
Iker Del Rosal, Iann C Gerber, Romuald Poteau, et al.
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of 3
Search research articles
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Showing results (1-10 of 30) with videos related to
Sort By:
Page
of 3
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
November 25, 2014
Magnetic properties of bcc Iron surfaces and the influence of the chemical environment: electronic structure calculations
Guntram Fischer, Iann C Gerber
Chemical Reviews
|
October 3, 2019
A Theory/Experience Description of Support Effects in Carbon-Supported Catalysts
Iann C Gerber, Philippe Serp
Physical Chemistry Chemical Physics : PCCP
|
April 21, 2015
Theoretical gas to liquid shift of (15)N isotropic nuclear magnetic shielding in nitromethane using ab initio molecular dynamics and GIAO/GIPAW calculations
Iann C Gerber, Franck Jolibois
Journal of Chemical Theory and Computation
|
July 25, 2018
Evaluation of Gas-to-Liquid <sup>17</sup>O Chemical Shift of Water: A Test Case for Molecular and Periodic Approaches
Jérôme Cuny, Franck Jolibois, Iann C Gerber
Physical Chemistry Chemical Physics : PCCP
|
October 27, 2015
Theoretical study of polyiodide formation and stability on monolayer and bilayer graphene
Damien Tristant, Pascal Puech, Iann C Gerber
The Journal of Physical Chemistry. B
|
December 28, 2020
Diversity of the Hydrogen Bond Network and Its Impact on NMR Parameters of Amylose B Polymorph: A Study Using Molecular Dynamics and DFT Calculations Within Periodic Boundary Conditions
Adrien Schahl, Iann C Gerber, Valérie Réat, et al.
Langmuir : the ACS Journal of Surfaces and Colloids
|
September 27, 2014
Surfaces of a colloidal iron nanoparticle in its chemical environment: a DFT description
Guntram Fischer, Romuald Poteau, Sébastien Lachaize, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
July 27, 2019
Dependence of the magnetic interactions in MoS<sub>2</sub> monolayer on Mn-doping configurations
Adlen Smiri, Iann C Gerber, Samir Lounis, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
October 3, 2025
Layer-dependent thermal and thermoelectric properties of hydrogenated 2D diamond
Samir El Masaoudi, Pascal Puech, Fabrice Piazza, et al.
The Journal of Physical Chemistry. A
|
May 14, 2010
Grafting of lanthanide complexes on silica surfaces: a theoretical investigation
Iker Del Rosal, Iann C Gerber, Romuald Poteau, et al.
Page
of 3