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Towards in silico liquid crystals. Realistic transition temperatures and physical properties for n-cyanobiphenyls via molecular dynamics simulations
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Europe PubMed Central
PubMed publication ID
18726965
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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18726965%20AND%20SRC:MED&resulttype=core&format=json
retrieved
12 January 2020
title
Towards in silico liquid crystals. Realistic transition temperatures and physical properties for n-cyanobiphenyls via molecular dynamics simulations
(English)
1 reference
stated in
Europe PubMed Central
PubMed publication ID
18726965
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18726965%20AND%20SRC:MED&resulttype=core&format=json
retrieved
12 January 2020
main subject
liquid
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in silico
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author
Luca Muccioli
series ordinal
2
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Europe PubMed Central
PubMed publication ID
18726965
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18726965%20AND%20SRC:MED&resulttype=core&format=json
retrieved
12 January 2020
Roberto Berardi
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3
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Europe PubMed Central
PubMed publication ID
18726965
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18726965%20AND%20SRC:MED&resulttype=core&format=json
retrieved
12 January 2020
Claudio Zannoni
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4
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Europe PubMed Central
PubMed publication ID
18726965
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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18726965%20AND%20SRC:MED&resulttype=core&format=json
retrieved
12 January 2020
author name string
Giustiniano Tiberio
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1
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Europe PubMed Central
PubMed publication ID
18726965
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18726965%20AND%20SRC:MED&resulttype=core&format=json
retrieved
12 January 2020
language of work or name
English
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publication date
1 January 2009
1 reference
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Europe PubMed Central
PubMed publication ID
18726965
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18726965%20AND%20SRC:MED&resulttype=core&format=json
retrieved
12 January 2020
published in
ChemPhysChem
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Europe PubMed Central
PubMed publication ID
18726965
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18726965%20AND%20SRC:MED&resulttype=core&format=json
retrieved
12 January 2020
volume
10
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Europe PubMed Central
PubMed publication ID
18726965
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retrieved
12 January 2020
issue
1
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Europe PubMed Central
PubMed publication ID
18726965
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18726965%20AND%20SRC:MED&resulttype=core&format=json
retrieved
12 January 2020
page(s)
125-136
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Europe PubMed Central
PubMed publication ID
18726965
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18726965%20AND%20SRC:MED&resulttype=core&format=json
retrieved
12 January 2020
cites work
Q57992510
1 reference
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Crossref
reference URL
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7 January 2021
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inferred from DOI database lookup
Molecular simulation of liquid crystals: progress towards a better understanding of bulk structure and the prediction of material properties.
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Crossref
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Can nematic transitions be predicted by atomistic simulations? A computational study of the odd-even effect
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Microscopic structure and dynamics of a partial bilayer smectic liquid crystal
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Atomistic simulation of a model liquid crystal
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Atomistic simulation of a nematogen using a force field derived from quantum chemical calculations.
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Modeling a liquid crystal dynamics by atomistic simulation with an ab initio derived force field
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7 January 2021
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Liquid crystal properties of the n-alkyl-cyanobiphenyl series from atomistic simulations with ab initio derived force fields
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Molecular dynamic study of the odd-even effect in some 4-n-alkyl-4'-cyanobiphenyls
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7 January 2021
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Odd-even effects in the homologous series of alkyl-cyanobiphenyl liquid crystals: a molecular dynamic study
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Crossref
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Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
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7 January 2021
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Can the pi-facial selectivity of solvation be predicted by atomistic simulation?
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7 January 2021
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Scalable molecular dynamics with NAMD
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Molecular dynamics with coupling to an external bath
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Atomistic simulations of a thermotropic biaxial liquid crystal
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Molecular orientational and dipolar correlation in the liquid crystal mixture E7: a molecular dynamics simulation study at a fully atomistic level
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Monte Carlo study of the isotropic and nematic phases of infinitely thin hard platelets
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A Monte Carlo investigation of the Lebwohl-Lasher lattice model in the vicinity of its orientational phase transition
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Monte Carlo investigations of a Gay—Berne liquid crystal
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A multitechnique maximum entropy approach to the determination of the orientation and conformation of flexible molecules in solution
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A deformable Gay–Berne model for the simulation of liquid crystals and soft materials
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Tracing the phase boundaries of hard spherocylinders
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A smooth particle mesh Ewald method
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Identifiers
DOI
10.1002/CPHC.200800231
1 reference
stated in
Europe PubMed Central
PubMed publication ID
18726965
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18726965%20AND%20SRC:MED&resulttype=core&format=json
retrieved
12 January 2020
PubMed publication ID
18726965
1 reference
stated in
Europe PubMed Central
PubMed publication ID
18726965
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18726965%20AND%20SRC:MED&resulttype=core&format=json
retrieved
12 January 2020
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