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Journal of Chemical Information and Modeling
|
January 6, 2026
From Static Pathways to Dynamic Mechanisms: A Committor-Based Data-Driven Approach to Chemical Reactions
Radu A Talmazan, Christophe Chipot
Journal of Computational Chemistry
|
September 27, 2025
Quantification of Reaction Barriers Under Diffusion Controlled Conditions
Martin M Maehr, Radu A Talmazan, Maren Podewitz
Organic & Biomolecular Chemistry
|
May 20, 2020
The intermolecular anthracene-transfer in a regiospecific antipodal C<sub>60</sub> difunctionalization
Radu A Talmazan, Klaus R Liedl, Bernhard Kräutler, et al.
Organometallics
|
March 1, 2024
Is Mn(I) More Promising Than Fe(II)-A Comparison of Mn vs Fe Complexes for Olefin Metathesis
Jan Pecak, Radu A Talmazan, Dennis Svatunek, et al.
The Journal of Physical Chemistry. B
|
September 23, 2025
Calculating Free-Energy Differences Using an Average Force: A Tutorial for Adaptive Biasing Force Simulations
Radu A Talmazan, Haohao Fu, Mengchen Zhou, et al.
Chemcatchem
|
January 6, 2023
Encapsulation Enhances the Catalytic Activity of C-N Coupling: Reaction Mechanism of a Cu(I)/Calix[8]arene Supramolecular Catalyst
Radu A Talmazan, J Refugio Monroy, Federico Del Río-Portilla, et al.
Nature Computational Science
|
February 17, 2026
Learning the committor without collective variables
Sergio Contreras Arredondo, Chenyu Tang, Radu A Talmazan, et al.
Journal of Chemical Theory and Computation
|
January 16, 2026
Following the Committor Flow: A Data-Driven Discovery of Transition Pathways
Cheng Giuseppe Chen, Chenyu Tang, Alberto Megías, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 4, 2025
UV-Vis Spectra of Carbonic Acid: Rationalizing Experimental Redshifts between Monomer and Bulk based on (H<sub>2</sub>CO<sub>3</sub>)<sub>n</sub> Calculations
Dennis F Dinu, Bastian Klein, Chaojiang Zhang, et al.
Inorganic Chemistry
|
October 2, 2020
<i>N</i>-Heterocyclic Carbene Gold(I) Complexes: Mechanism of the Ligand Scrambling Reaction and Their Oxidation to Gold(III) in Aqueous Solutions
Sina K Goetzfried, Caroline M Gallati, Monika Cziferszky, et al.
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Search research articles
Search
Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
Journal of Chemical Information and Modeling
|
January 6, 2026
From Static Pathways to Dynamic Mechanisms: A Committor-Based Data-Driven Approach to Chemical Reactions
Radu A Talmazan, Christophe Chipot
Journal of Computational Chemistry
|
September 27, 2025
Quantification of Reaction Barriers Under Diffusion Controlled Conditions
Martin M Maehr, Radu A Talmazan, Maren Podewitz
Organic & Biomolecular Chemistry
|
May 20, 2020
The intermolecular anthracene-transfer in a regiospecific antipodal C<sub>60</sub> difunctionalization
Radu A Talmazan, Klaus R Liedl, Bernhard Kräutler, et al.
Organometallics
|
March 1, 2024
Is Mn(I) More Promising Than Fe(II)-A Comparison of Mn vs Fe Complexes for Olefin Metathesis
Jan Pecak, Radu A Talmazan, Dennis Svatunek, et al.
The Journal of Physical Chemistry. B
|
September 23, 2025
Calculating Free-Energy Differences Using an Average Force: A Tutorial for Adaptive Biasing Force Simulations
Radu A Talmazan, Haohao Fu, Mengchen Zhou, et al.
Chemcatchem
|
January 6, 2023
Encapsulation Enhances the Catalytic Activity of C-N Coupling: Reaction Mechanism of a Cu(I)/Calix[8]arene Supramolecular Catalyst
Radu A Talmazan, J Refugio Monroy, Federico Del Río-Portilla, et al.
Nature Computational Science
|
February 17, 2026
Learning the committor without collective variables
Sergio Contreras Arredondo, Chenyu Tang, Radu A Talmazan, et al.
Journal of Chemical Theory and Computation
|
January 16, 2026
Following the Committor Flow: A Data-Driven Discovery of Transition Pathways
Cheng Giuseppe Chen, Chenyu Tang, Alberto Megías, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 4, 2025
UV-Vis Spectra of Carbonic Acid: Rationalizing Experimental Redshifts between Monomer and Bulk based on (H<sub>2</sub>CO<sub>3</sub>)<sub>n</sub> Calculations
Dennis F Dinu, Bastian Klein, Chaojiang Zhang, et al.
Inorganic Chemistry
|
October 2, 2020
<i>N</i>-Heterocyclic Carbene Gold(I) Complexes: Mechanism of the Ligand Scrambling Reaction and Their Oxidation to Gold(III) in Aqueous Solutions
Sina K Goetzfried, Caroline M Gallati, Monika Cziferszky, et al.
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of 2