Evaluating the Accuracy of Hessian Approximations for Direct Dynamics Simulations

Yu Zhuang, Michele Ceotto, Matthew Siebert, William Hase, Kenneth Kay

Research output: Contribution to journalArticlepeer-review

Original languageEnglish
Pages (from-to)54-64
JournalJournal of Chemical Theory and Computation
DOIs
StatePublished - Nov 2012

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