Ab initio evaluation of the free energy surfaces for the general base/acid catalyzed thiolysis of formamide and the hydrolysis of methyl thiolformate: A reference solution reaction for studies of cysteine proteases

Marek Ŝtrajbl, Jan Florián, Arieh Warshel

Research output: Contribution to journalArticlepeer-review

Original languageEnglish
Pages (from-to)4471-4484
Number of pages14
JournalJournal of Physical Chemistry B
Volume105
Issue number19
DOIs
StatePublished - May 17 2001
Externally publishedYes

ASJC Scopus Subject Areas

  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films
  • Materials Chemistry

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