About: Developing a coarse-grained force field for the diblock copolymer poly(styrene-b-butadiene) from atomistic simulation

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scientific article published on 01 May 2006

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rdf:type	Item
description	wetenschappelijk artikel (nl) наукова стаття, опублікована в травні 2006 (uk) im Mai 2006 veröffentlichter wissenschaftlicher Artikel (de) artículu científicu espublizáu en mayu de 2006 (ast) scientific article published on 01 May 2006 (en)
publication date	wds:Q60139132-BD96A133-DEA5-4D3C-974B-6F5D364BE361
publication date	2006-05-01 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q60139132-6307FB86-C6AA-4822-876D-28F4FA92294A
language of work or name	English
cites work	wds:Q60139132-1AEA12CD-C261-486F-8C56-2CBF831A7081 wds:Q60139132-31BD76E0-84A2-4208-941A-02081CC1C800 wds:Q60139132-414EF1AC-E521-4DB0-A2E3-110865D2F0C3 wds:Q60139132-526D56AC-64F7-45EA-9B9B-082DB3876009 wds:Q60139132-5A029D4B-DFC2-4293-AEC3-BA4F3ACEF5E3 wds:Q60139132-5BAF9FD7-B591-4E5B-BEFA-7F28BC937610 wds:Q60139132-607A9987-CCEF-4E09-A9F5-D64654AEB550 wds:Q60139132-6A0B23CD-C50C-4793-91EB-2ADDE07DAC04 wds:Q60139132-76502D33-30CC-4EA5-B81C-9AA4948A5322 wds:Q60139132-789B3441-23F9-4C03-AF91-A3345E105D9A wds:Q60139132-971A735A-540F-45CC-B727-19523163ECFC wds:Q60139132-9C43C002-D16B-4C61-9737-59FE3CD7C5AF wds:Q60139132-9F377177-0602-4D91-AB51-96A0569FD177 wds:Q60139132-A1F210F4-011B-47D0-8206-E22DA0DDEAD1 wds:Q60139132-BD998FF8-00B8-4770-9584-96F490039B47 wds:Q60139132-C51372F5-FC17-4CC7-89ED-7D863A1849D3 wds:Q60139132-C56A7DC9-E72D-4CD2-8306-004DDA68CB4A wds:Q60139132-CCDA0018-706F-4752-B479-8E9EF2874937 wds:Q60139132-EFBEED76-73A3-4C3E-8031-7B266E25D81E wds:Q60139132-FC436E6B-5DC3-4EB4-AC7E-85AE06AFC571
cites work	Analysis and Application of Potential Energy Smoothing and Search Methods for Global Optimization Molecular dynamics simulations at constant pressure and/or temperature Deriving effective mesoscale potentials from atomistic simulations. Coarse-graining in polymer simulation: from the atomistic to the mesoscopic scale and back The NMR solution structure of intestinal fatty acid-binding protein complexed with palmitate: application of a novel distance geometry algorithm Conformational analysis. 130. MM2. A hydrocarbon force field utilizing V1 and V2 torsional terms An efficient newton-like method for molecular mechanics energy minimization of large molecules Consistent treatment of inter- and intramolecular polarization in molecular mechanics calculations Mapping atomistic simulations to mesoscopic models: a systematic coarse-graining procedure for vinyl polymer chains. Theory of Microphase Separation in Block Copolymers Molecular Dynamics Study of the Ionic Liquid 1-n-Butyl-3-methylimidazolium Hexafluorophosphate Polarizable Atomic Multipole Water Model for Molecular Mechanics Simulation Algorithms for calculating excluded volume and its derivatives as a function of molecular conformation and their use in energy minimization Transitions to periodic structures in block copolymer melts Orientation-dependent coarse-grained potentials derived by statistical analysis of molecular structural databases Ordering of thin diblock copolymer films Fluctuation-Induced First-Order Transition of an Isotropic System to a Periodic State Phase transitions in diblock copolymers: Theory and Monte Carlo simulations Developing coarse-grained force fields for cis-poly(1,4-butadiene) from the atomistic simulation Dissipative particle dynamics simulations of polymer melts. I. Building potential of mean force for polyethylene and cis-polybutadiene
author name string	wds:Q60139132-3302B2B0-3BBA-426E-95C0-6B648DCF56DC wds:Q60139132-4B6CBD42-58A3-4BCF-B77B-B45CED7D967A wds:Q60139132-6A3037E6-73DB-4E57-9DCD-090922B43688
author name string	Haojun Liang Dazhi Kou Shuling Rao
rdfs:label	Developing a coarse-grained force field for the diblock copolymer poly(styrene-b-butadiene) from atomistic simulation (en) Developing a coarse-grained force field for the diblock copolymer poly (nl)
skos:prefLabel	Developing a coarse-grained force field for the diblock copolymer poly(styrene-b-butadiene) from atomistic simulation (en) Developing a coarse-grained force field for the diblock copolymer poly (nl)
name	Developing a coarse-grained force field for the diblock copolymer poly(styrene-b-butadiene) from atomistic simulation (en) Developing a coarse-grained force field for the diblock copolymer poly (nl)
author	wds:Q60139132-B070BC02-0872-48D2-B996-B96D70FCD78E
author	Xuejin Li
title	wds:Q60139132-AD1BCD28-94D5-4C02-887F-B2A44FE88858
title	Developing a coarse-grained force field for the diblock copolymer poly(styrene-b-butadiene) from atomistic simulation (en)
page(s)	wds:Q60139132-E75BB72E-3AF6-43D7-9CA0-2AB473211A2D
page(s)	204909
instance of	wds:Q60139132-6260CE5A-6F83-4489-8B3D-ED711FBE85D2
instance of	scholarly article
main subject	wds:Q60139132-89607559-7D43-4500-B2E2-0FDDEA7E8665 wds:Q60139132-EC430D69-1E7A-4244-8FDA-BA8A9196F828
main subject	force field styrene
PubMed ID	wds:Q60139132-4A6D377F-B374-46CC-A98E-03A53ECA3B78
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/16774386
PubMed ID	16774386
published in	wds:Q60139132-FCF876DC-E04F-4D59-858A-1F5E0A78C4A6
published in	Journal of Chemical Physics
issue	wds:Q60139132-19DA8BC3-02A2-4E05-BBFC-1640B5AFE931
volume	wds:Q60139132-4187A072-F074-4CD6-BA01-9BDCCFDC6CAF
issue	20
volume	124
DOI	wds:Q60139132-E6E04A79-A50B-42B9-95FC-3A5FB1C15500
DOI	http://dx.doi.org/10.1063/1.2200694
DOI	10.1063/1.2200694
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q60139132
is cites work of	A systematic procedure to build a relaxed dense-phase atomistic representation of a complex amorphous polymer using a coarse-grained modeling approach Coarse grained molecular dynamics simulations of transmembrane protein-lipid systems.
is cites work of	wds:Q37773796-C7800DBA-F668-4C8E-90EB-718A5C2A0D3C wds:Q37342916-76E312B4-388A-4F75-86CE-435BAC9ED040

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