Finite temperature string by K-means clustering sampling with order parameters as collective variables for molecular crystals: application to polymorphic transformation between ß-CL-20 and ε-CL-20.
Phys Chem Chem Phys
; 26(4): 3500-3515, 2024 Jan 24.
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| MEDLINE
| ID: mdl-38206084
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2024
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