A1 Journal article (refereed)
Explicit proton transfer in classical molecular dynamics simulations (2014)


Wolf, M. G., & Groenhof, G. (2014). Explicit proton transfer in classical molecular dynamics simulations. Journal of Computational Chemistry, 35(8), 657-671. https://doi.org/10.1002/jcc.23536


JYU authors or editors


Publication details

All authors or editorsWolf, Maarten G.; Groenhof, Gerrit

Journal or seriesJournal of Computational Chemistry

ISSN0192-8651

eISSN1096-987X

Publication year2014

Volume35

Issue number8

Pages range657-671

PublisherJossey Bass, Ed. & Pub.

Place of PublicationHoboken

Publication countryUnited States

Publication languageEnglish

DOIhttps://doi.org/10.1002/jcc.23536

Publication open accessNot open

Publication channel open access

Publication is parallel published (JYX)https://jyx.jyu.fi/handle/123456789/44022


Keywordsmolecular dynamics

Free keywordsproton transfer; λ-dynamics; force field; MC; excess proton


Contributing organizations


Ministry reportingYes

Reporting Year2014

JUFO rating2


Last updated on 2024-08-01 at 18:05