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Light on Catalytic Reaction Mechanisms: Uncovering the Conformation of Thiourea-Based Organocatalysts and Their Interaction with Nitroolefins Using Mi
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Mixed quantum–classical dynamics yields anharmonic Rabi oscillations
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Structural Changes in the Retinal Chromophore and Ion-Conducting Pathway of an Anion Channelrhodopsin GtACR1
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Solute Tempered Adiabatic Free Energy Dynamics for Enhancing Conformational Space Sampling
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Semiclassical transition state theory through the lens of the restricted partition function
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