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Recognizing Local and Global Structural Motifs at the Atomic Scale.
Gasparotto P, Meißner RH, Ceriotti M. Gasparotto P, et al. Among authors: ceriotti m. J Chem Theory Comput. 2018 Feb 13;14(2):486-498. doi: 10.1021/acs.jctc.7b00993. Epub 2018 Jan 25. J Chem Theory Comput. 2018. PMID: 29298385 Free article.
Analyzing Fluxional Molecules Using DORI.
Vannay L, Meyer B, Petraglia R, Sforazzini G, Ceriotti M, Corminboeuf C. Vannay L, et al. Among authors: ceriotti m. J Chem Theory Comput. 2018 May 8;14(5):2370-2379. doi: 10.1021/acs.jctc.7b01176. Epub 2018 Apr 4. J Chem Theory Comput. 2018. PMID: 29570294
Ab initio thermodynamics of liquid and solid water.
Cheng B, Engel EA, Behler J, Dellago C, Ceriotti M. Cheng B, et al. Among authors: ceriotti m. Proc Natl Acad Sci U S A. 2019 Jan 22;116(4):1110-1115. doi: 10.1073/pnas.1815117116. Epub 2019 Jan 4. Proc Natl Acad Sci U S A. 2019. PMID: 30610171 Free PMC article.
147 results