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Physical Chemistry Chemical Physics : PCCP
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August 14, 2014
Designing mixed metal halide ammines for ammonia storage using density functional theory and genetic algorithms
Peter Bjerre Jensen, Steen Lysgaard, Ulrich J Quaade, et al.
Chemsuschem
|
October 12, 2019
Improving the Activity of M-N<sub>4</sub> Catalysts for the Oxygen Reduction Reaction by Electrolyte Adsorption
Katrine L Svane, Mateusz Reda, Tejs Vegge, et al.
ACS Applied Materials & Interfaces
|
March 28, 2022
Phase-Field Investigation of Lithium Electrodeposition at Different Applied Overpotentials and Operating Temperatures
Joonyeob Jeon, Gil Ho Yoon, Tejs Vegge, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
February 23, 2024
Understanding the Electronic and Structural Effects in ORR Intermediate Binding on Anion-Substituted Zirconia Surfaces
Sukanya Sinha, Tejs Vegge, Kirsten T Winther, et al.
Chemical Communications (Cambridge, England)
|
December 12, 2019
Energy-entropy competition in cation-hydroxyl interactions at the liquid water-Pt(111) interface
Henrik H Kristoffersen, Karen Chan, Tejs Vegge, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 24, 2016
Decoupling strain and ligand effects in ternary nanoparticles for improved ORR electrocatalysis
Paul C Jennings, Steen Lysgaard, Heine A Hansen, et al.
Journal of Chemical Theory and Computation
|
March 21, 2019
R-NEB: Accelerated Nudged Elastic Band Calculations by Use of Reflection Symmetry
Nicolai Rask Mathiesen, Hannes Jónsson, Tejs Vegge, et al.
The Journal of Physical Chemistry Letters
|
July 18, 2018
Thermodynamic and Kinetic Limitations for Peroxide and Superoxide Formation in Na-O<sub>2</sub> Batteries
Yedilfana S Mekonnen, Rune Christensen, Juan M Garcia-Lastra, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 3, 2018
Combinatorial selection of a two-dimensional 3d-TM-tetracyanoquinodimethane (TM-TCNQ) monolayer as a high-activity nanocatalyst for CO oxidation
Qingming Deng, Tiantian Wu, Guibin Chen, et al.
Journal of Chemical Information and Modeling
|
September 16, 2022
Cheap Turns Superior: A Linear Regression-Based Correction Method to Reaction Energy from the DFT
Surajit Nandi, Jonas Busk, Peter Bjørn Jørgensen, et al.
Page
of 8
Search research articles
Search
Showing results (21-30 of 73) with videos related to
Sort By:
Page
of 8
Physical Chemistry Chemical Physics : PCCP
|
August 14, 2014
Designing mixed metal halide ammines for ammonia storage using density functional theory and genetic algorithms
Peter Bjerre Jensen, Steen Lysgaard, Ulrich J Quaade, et al.
Chemsuschem
|
October 12, 2019
Improving the Activity of M-N<sub>4</sub> Catalysts for the Oxygen Reduction Reaction by Electrolyte Adsorption
Katrine L Svane, Mateusz Reda, Tejs Vegge, et al.
ACS Applied Materials & Interfaces
|
March 28, 2022
Phase-Field Investigation of Lithium Electrodeposition at Different Applied Overpotentials and Operating Temperatures
Joonyeob Jeon, Gil Ho Yoon, Tejs Vegge, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
February 23, 2024
Understanding the Electronic and Structural Effects in ORR Intermediate Binding on Anion-Substituted Zirconia Surfaces
Sukanya Sinha, Tejs Vegge, Kirsten T Winther, et al.
Chemical Communications (Cambridge, England)
|
December 12, 2019
Energy-entropy competition in cation-hydroxyl interactions at the liquid water-Pt(111) interface
Henrik H Kristoffersen, Karen Chan, Tejs Vegge, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 24, 2016
Decoupling strain and ligand effects in ternary nanoparticles for improved ORR electrocatalysis
Paul C Jennings, Steen Lysgaard, Heine A Hansen, et al.
Journal of Chemical Theory and Computation
|
March 21, 2019
R-NEB: Accelerated Nudged Elastic Band Calculations by Use of Reflection Symmetry
Nicolai Rask Mathiesen, Hannes Jónsson, Tejs Vegge, et al.
The Journal of Physical Chemistry Letters
|
July 18, 2018
Thermodynamic and Kinetic Limitations for Peroxide and Superoxide Formation in Na-O<sub>2</sub> Batteries
Yedilfana S Mekonnen, Rune Christensen, Juan M Garcia-Lastra, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 3, 2018
Combinatorial selection of a two-dimensional 3d-TM-tetracyanoquinodimethane (TM-TCNQ) monolayer as a high-activity nanocatalyst for CO oxidation
Qingming Deng, Tiantian Wu, Guibin Chen, et al.
Journal of Chemical Information and Modeling
|
September 16, 2022
Cheap Turns Superior: A Linear Regression-Based Correction Method to Reaction Energy from the DFT
Surajit Nandi, Jonas Busk, Peter Bjørn Jørgensen, et al.
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of 8