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Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|January 28, 2025
Accurate and efficient representation of intramolecular energy in ab initio generation of crystal structures. Part III: partitioning into torsional groupsIsaac J Sugden, David H Bowskill, Benjamin I Tan, et al.
Journal of Chemical Theory and Computation|November 19, 2025
Assessing Polymorph Stability and Phase Transitions at Finite Temperature: Integrating Crystal Structure Prediction, Lattice Dynamics, and Molecular DynamicsGabriela B Correa, Stefanos Konstantinopoulos, Benjamin I Tan, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|October 15, 2024
The seventh blind test of crystal structure prediction: structure generation methodsLily M Hunnisett, Jonas Nyman, Nicholas Francia, et al.
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