Time-reversible molecular dynamics algorithms with bond constraints

Publikation: Bidrag til tidsskriftTidsskriftartikelForskningpeer review

OriginalsprogEngelsk
TidsskriftJournal of Chemical Physics
Vol/bind131
Udgave nummer6
Sider (fra-til)064102-1 til 064102-9
Antal sider9
ISSN0021-9606
DOI
StatusUdgivet - 2009

Citer dette

@article{730874d0866011deac5e000ea68e967b,
title = "Time-reversible molecular dynamics algorithms with bond constraints",
keywords = "bonds (chemical), iterative methods, molecular dynamics method, organic compounds, statistical analysis",
author = "S{\o}ren Toxv{\ae}rd and Ole Heilmann and Trond Ingebrigtsen and Thomas Schr{\o}der and Dyre, {J. C.}",
year = "2009",
doi = "10.1063/1.3194785",
language = "English",
volume = "131",
pages = "064102--1 til 064102--9",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics",
number = "6",

}

Time-reversible molecular dynamics algorithms with bond constraints. / Toxværd, Søren; Heilmann, Ole; Ingebrigtsen, Trond; Schrøder, Thomas; Dyre, J. C.

I: Journal of Chemical Physics, Bind 131, Nr. 6, 2009, s. 064102-1 til 064102-9.

Publikation: Bidrag til tidsskriftTidsskriftartikelForskningpeer review

TY - JOUR

T1 - Time-reversible molecular dynamics algorithms with bond constraints

AU - Toxværd, Søren

AU - Heilmann, Ole

AU - Ingebrigtsen, Trond

AU - Schrøder, Thomas

AU - Dyre, J. C.

PY - 2009

Y1 - 2009

KW - bonds (chemical)

KW - iterative methods

KW - molecular dynamics method

KW - organic compounds

KW - statistical analysis

U2 - 10.1063/1.3194785

DO - 10.1063/1.3194785

M3 - Journal article

VL - 131

SP - 064102-1 til 064102-9

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 6

ER -