Evaluating the Accuracy of Hessian Approximations for Direct Dynamics Simulations

Yu Zhuang, M. R. Siebert, William Hase, K. G. Kay, M. Ceotto

Research output: Contribution to journalArticle

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

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