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Journal of Computational Chemistry
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June 21, 2006
Theoretical, spectroscopic, and mechanistic studies on transition-metal dinitrogen complexes: implications to reactivity and relevance to the nitrogenase problem
Felix Studt, Felix Tuczek
The Journal of Physical Chemistry Letters
|
May 16, 2020
How Accurately Do Approximate Density Functionals Predict Trends in Acidic Zeolite Catalysis?
Philipp N Plessow, Felix Studt
Physical Chemistry Chemical Physics : PCCP
|
April 24, 2015
A systematic study of metal-supported boron nitride materials for the oxygen reduction reaction
Ralph Koitz, Jens K Nørskov, Felix Studt
ACS Physical Chemistry Au
|
March 1, 2023
Toward Computing Accurate Free Energies in Heterogeneous Catalysis: a Case Study for Adsorbed Isobutene in H-ZSM-5
Kristof De Wispelaere, Philipp N Plessow, Felix Studt
Inorganic Chemistry
|
August 3, 2004
Application of a universal force field to mixed Fe/Mo-S/Se cubane and heterocubane clusters. 1. Substitution of sulfur by selenium in the series [Fe4X4(YCH3)4]2-; X = S/Se and Y = S/Se
Axel Kern, Christian Näther, Felix Studt, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 2, 2007
Energetics and mechanism of ammonia synthesis through the Chatt Cycle: conditions for a catalytic mode and comparison with the Schrock Cycle
Gerald C Stephan, Chinnappan Sivasankar, Felix Studt, et al.
Journal of Chemical Theory and Computation
|
April 12, 2023
Anharmonic Correction to Free Energy Barriers from DFT-Based Molecular Dynamics Using Constrained Thermodynamic Integration
Jonas Amsler, Philipp N Plessow, Felix Studt, et al.
Journal of the American Chemical Society
|
March 29, 2019
Identification of the Reaction Sequence of the MTO Initiation Mechanism Using Ab Initio-Based Kinetics
Philipp N Plessow, Ashley Smith, Steffen Tischer, et al.
Journal of Chemical Theory and Computation
|
January 22, 2021
Anharmonic Correction to Adsorption Free Energy from DFT-Based MD Using Thermodynamic Integration
Jonas Amsler, Philipp N Plessow, Felix Studt, et al.
ACS Omega
|
July 10, 2026
A Molecular Analogue of Cu/ZSM‑5 Catalyzing the Monooxygenation of Hydrocarbons via a Mono μ‑Oxo Dicopper Species
Alexander Stüber, Dmitry I Sharapa, Felix Tuczek, et al.
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of 7
Search research articles
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Showing results (1-10 of 70) with videos related to
Sort By:
Page
of 7
Journal of Computational Chemistry
|
June 21, 2006
Theoretical, spectroscopic, and mechanistic studies on transition-metal dinitrogen complexes: implications to reactivity and relevance to the nitrogenase problem
Felix Studt, Felix Tuczek
The Journal of Physical Chemistry Letters
|
May 16, 2020
How Accurately Do Approximate Density Functionals Predict Trends in Acidic Zeolite Catalysis?
Philipp N Plessow, Felix Studt
Physical Chemistry Chemical Physics : PCCP
|
April 24, 2015
A systematic study of metal-supported boron nitride materials for the oxygen reduction reaction
Ralph Koitz, Jens K Nørskov, Felix Studt
ACS Physical Chemistry Au
|
March 1, 2023
Toward Computing Accurate Free Energies in Heterogeneous Catalysis: a Case Study for Adsorbed Isobutene in H-ZSM-5
Kristof De Wispelaere, Philipp N Plessow, Felix Studt
Inorganic Chemistry
|
August 3, 2004
Application of a universal force field to mixed Fe/Mo-S/Se cubane and heterocubane clusters. 1. Substitution of sulfur by selenium in the series [Fe4X4(YCH3)4]2-; X = S/Se and Y = S/Se
Axel Kern, Christian Näther, Felix Studt, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 2, 2007
Energetics and mechanism of ammonia synthesis through the Chatt Cycle: conditions for a catalytic mode and comparison with the Schrock Cycle
Gerald C Stephan, Chinnappan Sivasankar, Felix Studt, et al.
Journal of Chemical Theory and Computation
|
April 12, 2023
Anharmonic Correction to Free Energy Barriers from DFT-Based Molecular Dynamics Using Constrained Thermodynamic Integration
Jonas Amsler, Philipp N Plessow, Felix Studt, et al.
Journal of the American Chemical Society
|
March 29, 2019
Identification of the Reaction Sequence of the MTO Initiation Mechanism Using Ab Initio-Based Kinetics
Philipp N Plessow, Ashley Smith, Steffen Tischer, et al.
Journal of Chemical Theory and Computation
|
January 22, 2021
Anharmonic Correction to Adsorption Free Energy from DFT-Based MD Using Thermodynamic Integration
Jonas Amsler, Philipp N Plessow, Felix Studt, et al.
ACS Omega
|
July 10, 2026
A Molecular Analogue of Cu/ZSM‑5 Catalyzing the Monooxygenation of Hydrocarbons via a Mono μ‑Oxo Dicopper Species
Alexander Stüber, Dmitry I Sharapa, Felix Tuczek, et al.
Page
of 7