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ILVES: Accurate and Efficient Bond Length and Angle Constraints in Molecular Dynamics
Journal of Chemical Theory and Computation
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Universal Features of Magnetic Behavior Originating from Linear Band Dispersion: α-BETS2X and α′-BETS2Y (BETS = Bis(ethylenedithio)tetraselenafulvalen
Journal of Physical Chemistry Letters
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Light-Matter Entanglement in Real-Time Nuclear–Electronic Orbital Polariton Dynamics
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Colloidal aggregation dynamics in curing systems unified by the number of cluster bonds
Journal of Molecular Liquids
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Control simulations of many-body quantum systems by a synergism of discrete real-time learning and optimal control theory
Journal of Chemical Physics
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Temperature impact on thermo-electrochemical behavior of silicon-based photoelectrochemical flow cells
Journal of Chemical Physics
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Anilinium-to-Azonium Excited State Intramolecular Proton Transfer in a Cationic Scaffold Exhibiting Multitunable Emission
Journal of Physical Chemistry A
2025-08-27
Exact lattice summations for Lennard-Jones potentials coupled to a three-body Axilrod–Teller–Muto term applied to cuboidal phase transitions
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TS2CG as a Membrane Builder
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