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Dataset for "Quantum-mechanical treatment of thermal effects on structure and 13C NMR shielding of Buckminsterfullerene C60"
Geometry scans - Experimental validation of an analytical stress magnification factor for thin plates with welding-induced curvature
Data set for: Computational Insight into the Selectivity of $\gamma$-valerolactone Hydrodeoxygenation over Rh($111$) and Ru($0001$)
Switchable Contact Model (SCM)
Direct imaging of carbohydrate stereochemistry structural dataset
sampsapursiainen/zeffiro_interface
Datasets for the paper "Advancing Scanning Probe Microscopy Simulations: A Decade of Development in Probe-Particle Models"
IL-NIT model for the excitation of a nerve fibre
Additive manufacturing set 495 preview
Dataset of simulated room impulse responses in three coupled rooms
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