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Vaishali Thakkur

Showing results (1-10 of 3) with videos related to

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Journal of Chemical Theory and Computation|March 19, 2021
Achieving an Order of Magnitude Speedup in Hybrid-Functional- and Plane-Wave-Based <i>Ab Initio</i> Molecular Dynamics: Applications to Proton-Transfer Reactions in Enzymes and in SolutionSagarmoy Mandal, Vaishali Thakkur, Nisanth N Nair
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|May 22, 2026
Steric Induced Inhibition of Serine <math><mi>β</mi></math> -Lactamase Catalyzed HydrolysisVaishali Thakkur, Chandan Kumar Das, Shivani Verma, et al.
Journal of Chemical Theory and Computation|November 7, 2023
Speeding-up Hybrid Functional-Based <i>Ab Initio</i> Molecular Dynamics Using Multiple Time-stepping and Resonance-Free ThermostatRitama Kar, Sagarmoy Mandal, Vaishali Thakkur, et al.
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Showing results (1-10 of 3) with videos related to

Sort By:
Pageof 1
Journal of Chemical Theory and Computation|March 19, 2021
Achieving an Order of Magnitude Speedup in Hybrid-Functional- and Plane-Wave-Based <i>Ab Initio</i> Molecular Dynamics: Applications to Proton-Transfer Reactions in Enzymes and in SolutionSagarmoy Mandal, Vaishali Thakkur, Nisanth N Nair
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|May 22, 2026
Steric Induced Inhibition of Serine <math><mi>β</mi></math> -Lactamase Catalyzed HydrolysisVaishali Thakkur, Chandan Kumar Das, Shivani Verma, et al.
Journal of Chemical Theory and Computation|November 7, 2023
Speeding-up Hybrid Functional-Based <i>Ab Initio</i> Molecular Dynamics Using Multiple Time-stepping and Resonance-Free ThermostatRitama Kar, Sagarmoy Mandal, Vaishali Thakkur, et al.
Pageof 1