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The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
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March 26, 2025
Comparative Study of UMCM-9 Polymorphs: Structural, Dynamic, and Hydrogen Storage Properties via Atomistic Simulations
Josef M Gallmetzer, Jakob Gamper, Stefanie Kröll, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 24, 2024
Modelling bulk and surface characteristics of cubic CeO<sub>2</sub>, Gd<sub>2</sub>O<sub>3</sub>, and gadolinium-doped ceria using a partial charge framework
Josef M Gallmetzer, Jakob Gamper, Felix R S Purtscher, et al.
Journal of Computational Chemistry
|
March 12, 2026
DFTB Parametrization at the Example of Platinum-Implementation, Validation and Practical Considerations
Felix R S Purtscher, Armin Penz, Josef M Gallmetzer, et al.
ACS Omega
|
February 19, 2024
Perylenetetracarboxylic Diimide Composite Electrodes as Organic Cathode Materials for Rechargeable Sodium-Ion Batteries: A Joint Experimental and Theoretical Study
Sebastian Liebl, Josef M Gallmetzer, Daniel Werner, et al.
Journal of Computational Chemistry
|
April 2, 2026
Tackling Orientational Isomerism in Metal-Organic Frameworks Comprising Low-Symmetry Linker Molecules via Simulated Annealing Featuring a Neural Network Potential
Benedikt E Hörfarter, Stefan Seiwald, Clemens Hofstötter, et al.
Journal of Chemical Theory and Computation
|
December 19, 2024
Equipartitioning of Molecular Degrees of Freedom in MD Simulations of Gaseous Systems via an Advanced Thermostatization Strategy
Jakob Gamper, Josef M Gallmetzer, Risnita Vicky Listyarini, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 27, 2022
Anthraquinone and its derivatives as sustainable materials for electrochemical applications - a joint experimental and theoretical investigation of the redox potential in solution
Josef M Gallmetzer, Stefanie Kröll, Daniel Werner, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
January 15, 2025
Combined Experimental and Theoretical Approach to the Electronic and Magnetic Properties of Cu-Doped LaMnO<sub>3</sub> Perovskites
Josef M Gallmetzer, Felix R S Purtscher, Jakob Gamper, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
September 2, 2024
K<sub>0.72</sub>Na<sub>1.71</sub>Ca<sub>5.79</sub>Si<sub>6</sub>O<sub>19</sub> - the first oligosilicate based on [Si<sub>6</sub>O<sub>19</sub>]-hexamers and its stability compared to cyclosilicates
Volker Kahlenberg, Hannes Krüger, Sonja Garber, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
September 2, 2022
Direct Electrochemical CO<sub>2</sub> Capture Using Substituted Anthraquinones in Homogeneous Solutions: A Joint Experimental and Theoretical Study
Corina Schimanofsky, Dominik Wielend, Stefanie Kröll, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
March 26, 2025
Comparative Study of UMCM-9 Polymorphs: Structural, Dynamic, and Hydrogen Storage Properties via Atomistic Simulations
Josef M Gallmetzer, Jakob Gamper, Stefanie Kröll, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 24, 2024
Modelling bulk and surface characteristics of cubic CeO<sub>2</sub>, Gd<sub>2</sub>O<sub>3</sub>, and gadolinium-doped ceria using a partial charge framework
Josef M Gallmetzer, Jakob Gamper, Felix R S Purtscher, et al.
Journal of Computational Chemistry
|
March 12, 2026
DFTB Parametrization at the Example of Platinum-Implementation, Validation and Practical Considerations
Felix R S Purtscher, Armin Penz, Josef M Gallmetzer, et al.
ACS Omega
|
February 19, 2024
Perylenetetracarboxylic Diimide Composite Electrodes as Organic Cathode Materials for Rechargeable Sodium-Ion Batteries: A Joint Experimental and Theoretical Study
Sebastian Liebl, Josef M Gallmetzer, Daniel Werner, et al.
Journal of Computational Chemistry
|
April 2, 2026
Tackling Orientational Isomerism in Metal-Organic Frameworks Comprising Low-Symmetry Linker Molecules via Simulated Annealing Featuring a Neural Network Potential
Benedikt E Hörfarter, Stefan Seiwald, Clemens Hofstötter, et al.
Journal of Chemical Theory and Computation
|
December 19, 2024
Equipartitioning of Molecular Degrees of Freedom in MD Simulations of Gaseous Systems via an Advanced Thermostatization Strategy
Jakob Gamper, Josef M Gallmetzer, Risnita Vicky Listyarini, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 27, 2022
Anthraquinone and its derivatives as sustainable materials for electrochemical applications - a joint experimental and theoretical investigation of the redox potential in solution
Josef M Gallmetzer, Stefanie Kröll, Daniel Werner, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
January 15, 2025
Combined Experimental and Theoretical Approach to the Electronic and Magnetic Properties of Cu-Doped LaMnO<sub>3</sub> Perovskites
Josef M Gallmetzer, Felix R S Purtscher, Jakob Gamper, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
September 2, 2024
K<sub>0.72</sub>Na<sub>1.71</sub>Ca<sub>5.79</sub>Si<sub>6</sub>O<sub>19</sub> - the first oligosilicate based on [Si<sub>6</sub>O<sub>19</sub>]-hexamers and its stability compared to cyclosilicates
Volker Kahlenberg, Hannes Krüger, Sonja Garber, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
September 2, 2022
Direct Electrochemical CO<sub>2</sub> Capture Using Substituted Anthraquinones in Homogeneous Solutions: A Joint Experimental and Theoretical Study
Corina Schimanofsky, Dominik Wielend, Stefanie Kröll, et al.
Page
of 2