Interfacing the GROMOS (bio)molecular simulation software to quantum-chemical program packages
dc.contributor.author
Meier, Katharina
dc.contributor.author
Schmid, Nathan
dc.contributor.author
van Gunsteren, Wilfred F.
dc.date.accessioned
2017-06-10T08:56:56Z
dc.date.available
2017-06-10T08:56:56Z
dc.date.issued
2012-10
dc.identifier.issn
0192-8651
dc.identifier.issn
1096-987X
dc.identifier.other
10.1002/jcc.23047
dc.identifier.uri
http://hdl.handle.net/20.500.11850/55571
dc.language.iso
en
dc.publisher
Wiley
dc.subject
QM/MM simulation
dc.subject
GROMOS
dc.subject
MNDO
dc.subject
TURBOMOLE
dc.subject
Molecular dynamics
dc.subject
Water
dc.title
Interfacing the GROMOS (bio)molecular simulation software to quantum-chemical program packages
dc.type
Journal Article
ethz.journal.title
Journal of Computational Chemistry
ethz.journal.volume
33
ethz.journal.issue
26
ethz.journal.abbreviated
J Comput Chem
ethz.pages.start
2108
ethz.pages.end
2117
ethz.notes
Manuscript received 24 March 2012, Manuscript revised 21 May 2012, Manuscript accepted 22 May 2012, Article first published online 27 June 2012.
ethz.identifier.wos
ethz.identifier.nebis
000019884
ethz.publication.place
New York, NY
ethz.publication.status
published
ethz.leitzahl
ETH Zürich::00002 - ETH Zürich::00012 - Lehre und Forschung::00007 - Departemente::02020 - Dep. Chemie und Angewandte Biowiss. / Dep. of Chemistry and Applied Biosc.::02543 - Inst. f. Molekulare Physikalische Wiss. / Institute of Molecular Physical Science::03304 - Van Gunsteren, Wilfred F. (emeritus)
ethz.leitzahl
ETH Zürich::00002 - ETH Zürich::00003 - Schulleitung und Dienste::00025 - Bereich VP Infrastruktur / Domain VP Infrastructure::00060 - Abt. ETH-Bibliothek / ETH-Bibliothek
ethz.leitzahl.certified
ETH Zürich::00002 - ETH Zürich::00012 - Lehre und Forschung::00007 - Departemente::02020 - Dep. Chemie und Angewandte Biowiss. / Dep. of Chemistry and Applied Biosc.::02543 - Inst. f. Molekulare Physikalische Wiss. / Institute of Molecular Physical Science::03304 - Van Gunsteren, Wilfred F. (emeritus)
ethz.date.deposited
2017-06-10T09:00:31Z
ethz.source
ECIT
ethz.identifier.importid
imp59364fc0ad5b823068
ethz.ecitpid
pub:89553
ethz.eth
yes
ethz.availability
Metadata only
ethz.rosetta.installDate
2017-07-15T08:24:32Z
ethz.rosetta.lastUpdated
2024-02-01T19:18:27Z
ethz.rosetta.versionExported
true
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