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Journal of the American Chemical Society
|
January 8, 2004
Spectroscopic properties and quantum chemistry-based normal coordinate analysis (QCB-NCA) of a dinuclear tantalum complex exhibiting the novel side-on end-on bridging geometry of N2: correlations to electronic structure and reactivity
Felix Studt, Bruce A MacKay, Michael D Fryzuk, et al.
Dalton Transactions (Cambridge, England : 2003)
|
February 17, 2006
N-N splitting of a functionalized mu-eta1:eta2 coordinated N2 ligand leading to a micro-nitrido micro-imido core: mechanistic insight from DFT
Felix Studt, Bruce A Mackay, Michael D Fryzuk, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
January 12, 2011
Density functional theory in surface chemistry and catalysis
Jens K Nørskov, Frank Abild-Pedersen, Felix Studt, et al.
Inorganic Chemistry
|
March 15, 2006
Orbital interactions in Fe(II)/Co(III) heterobimetallocenes: single versus double bridge
Ralf Warratz, Gerhard Peters, Felix Studt, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 6, 2026
Nickel-Catalyzed Reductive Cross-Coupling of Xanthate Esters With Aryl and Alkenyl Iodides
Felix Vöhringer, Kathrin Zwettler, Dmitry I Sharapa, et al.
The Journal of Chemical Physics
|
December 11, 2024
CO adsorption on CeO2(111): A CCSD(T) benchmark study using an embedded-cluster model
Juana Vázquez Quesada, Sarah Bernart, Felix Studt, et al.
ACS Omega
|
March 2, 2026
Understanding the Selectivity of Selective Oxidation of Propane to Acrylic Acid on a Mo-Te-Nb-O M1 Catalyst Using Density Functional Theory
Karnajit Sen, Ansgar Schäfer, Frank Rosowski, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 18, 2003
Side-on bridging coordination of N2: spectroscopic characterization of the planar Zr2N2 core and theoretical investigation of its butterfly distortion
Felix Studt, Lara Morello, Nicolai Lehnert, et al.
The Journal of Physical Chemistry. A
|
October 3, 2024
Ab Initio Kinetics of Electrochemical Reactions Using the Computational Fc<sup>0</sup>/Fc<sup>+</sup> Electrode
Aleksandr S Kramarenko, Dmitry I Sharapa, Evgeny A Pidko, et al.
The Journal of Physical Chemistry. A
|
December 13, 2022
Modeling CoCu Nanoparticles Using Neural Network-Accelerated Monte Carlo Simulations
Shenjun Zha, Dmitry I Sharapa, Sihang Liu, et al.
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of 7
Search research articles
Search
Showing results (11-20 of 70) with videos related to
Sort By:
Page
of 7
Journal of the American Chemical Society
|
January 8, 2004
Spectroscopic properties and quantum chemistry-based normal coordinate analysis (QCB-NCA) of a dinuclear tantalum complex exhibiting the novel side-on end-on bridging geometry of N2: correlations to electronic structure and reactivity
Felix Studt, Bruce A MacKay, Michael D Fryzuk, et al.
Dalton Transactions (Cambridge, England : 2003)
|
February 17, 2006
N-N splitting of a functionalized mu-eta1:eta2 coordinated N2 ligand leading to a micro-nitrido micro-imido core: mechanistic insight from DFT
Felix Studt, Bruce A Mackay, Michael D Fryzuk, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
January 12, 2011
Density functional theory in surface chemistry and catalysis
Jens K Nørskov, Frank Abild-Pedersen, Felix Studt, et al.
Inorganic Chemistry
|
March 15, 2006
Orbital interactions in Fe(II)/Co(III) heterobimetallocenes: single versus double bridge
Ralf Warratz, Gerhard Peters, Felix Studt, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 6, 2026
Nickel-Catalyzed Reductive Cross-Coupling of Xanthate Esters With Aryl and Alkenyl Iodides
Felix Vöhringer, Kathrin Zwettler, Dmitry I Sharapa, et al.
The Journal of Chemical Physics
|
December 11, 2024
CO adsorption on CeO2(111): A CCSD(T) benchmark study using an embedded-cluster model
Juana Vázquez Quesada, Sarah Bernart, Felix Studt, et al.
ACS Omega
|
March 2, 2026
Understanding the Selectivity of Selective Oxidation of Propane to Acrylic Acid on a Mo-Te-Nb-O M1 Catalyst Using Density Functional Theory
Karnajit Sen, Ansgar Schäfer, Frank Rosowski, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 18, 2003
Side-on bridging coordination of N2: spectroscopic characterization of the planar Zr2N2 core and theoretical investigation of its butterfly distortion
Felix Studt, Lara Morello, Nicolai Lehnert, et al.
The Journal of Physical Chemistry. A
|
October 3, 2024
Ab Initio Kinetics of Electrochemical Reactions Using the Computational Fc<sup>0</sup>/Fc<sup>+</sup> Electrode
Aleksandr S Kramarenko, Dmitry I Sharapa, Evgeny A Pidko, et al.
The Journal of Physical Chemistry. A
|
December 13, 2022
Modeling CoCu Nanoparticles Using Neural Network-Accelerated Monte Carlo Simulations
Shenjun Zha, Dmitry I Sharapa, Sihang Liu, et al.
Page
of 7