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机译:Predicting polymorphism in molecular crystals using orientational entropy
Ecole Polytech Fed Lausanne, Theory & Simulat Mat, CH-1015 Lausanne, Switzerland;
Univ Svizzera Italiana, Fac Informat, Ist Sci Computaz, CH-6900 Lugano, Switzerland;
crystal structure prediction; polymorphism; enhanced sampling; molecular simulation; urea;