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 editors: Wolf, Maarten G.; Groenhof, Gerrit

Journal or series: Journal of Computational Chemistry

ISSN: 0192-8651

eISSN: 1096-987X

Publication year: 2014

Volume: 35

Issue number: 8

Pages range: 657-671

Publisher: Jossey Bass, Ed. & Pub.

Place of Publication: Hoboken

Publication country: United States

Publication language: English

DOI: https://doi.org/10.1002/jcc.23536

Publication open access: Not open

Publication channel open access: 

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

Keywords: molecular dynamics

Free keywords: proton transfer; λ-dynamics; force field; MC; excess proton

Contributing organizations

Ministry reporting: Yes

VIRTA submission year: 2014

JUFO rating: 2