A Systematic Approach to Calibrate a Transferable Polarizable Force Field Parameter Set for Primary Alcohols

Research output: Scientific - peer-reviewArticle

Original languageEnglish
Pages (from-to)508-517
JournalJournal of Computational Chemistry
Volume38
Issue number8
DOIs
StatePublished - Mar 2017

Cite this

@article{e80def09ddb94e959b269581995d5583,
title = "A Systematic Approach to Calibrate a Transferable Polarizable Force Field Parameter Set for Primary Alcohols",
keywords = "force field parameterization, polarizable force field, charge-on-spring model, molecular simulation, GROMOS11",
author = "Visscher, {Koen M.} and Vosmeer, {C. Ruben} and Luirink, {Rosa A.} and Geerke, {Daan P.}",
year = "2017",
month = "3",
doi = "10.1002/jcc.24702",
volume = "38",
pages = "508--517",
journal = "Journal of Computational Chemistry",
issn = "0192-8651",
publisher = "John Wiley and Sons Inc.",
number = "8",

}

TY - JOUR

T1 - A Systematic Approach to Calibrate a Transferable Polarizable Force Field Parameter Set for Primary Alcohols

AU - Visscher,Koen M.

AU - Vosmeer,C. Ruben

AU - Luirink,Rosa A.

AU - Geerke,Daan P.

PY - 2017/3

Y1 - 2017/3

KW - force field parameterization

KW - polarizable force field

KW - charge-on-spring model

KW - molecular simulation

KW - GROMOS11

U2 - 10.1002/jcc.24702

DO - 10.1002/jcc.24702

M3 - Article

VL - 38

SP - 508

EP - 517

JO - Journal of Computational Chemistry

T2 - Journal of Computational Chemistry

JF - Journal of Computational Chemistry

SN - 0192-8651

IS - 8

ER -