A convergence study of QM/MM isomerization energies with the selected size of the QM region for peptidic systems

scientific article

A convergence study of QM/MM isomerization energies with the selected size of the QM region for peptidic systems is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1021/JP902876N
P698PubMed publication ID19585981

P2093author name stringChris Vanessa Sumowski
Christian Ochsenfeld
P433issue43
P407language of work or nameEnglishQ1860
P304page(s)11734-11741
P577publication date2009-10-01
P1433published inJournal of Physical Chemistry AQ745688
P1476titleA convergence study of QM/MM isomerization energies with the selected size of the QM region for peptidic systems
P478volume113

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