Phase transitions in molecular crystal 4,4'-bis(6-hydroxy-1-hexyloxy)biphenyl studied by molecular dynamics simulations and IR spectroscopy.
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389013%3A_____%2F01%3A55010280" target="_blank" >RIV/61389013:_____/01:55010280 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Phase transitions in molecular crystal 4,4'-bis(6-hydroxy-1-hexyloxy)biphenyl studied by molecular dynamics simulations and IR spectroscopy.
Original language description
Molecular dynamics simulations in an NPT ensemble combined with temperature dependent IR spectroscopic measurements were used to study the phase transitions in a molecular crystal of a mesogenic diol - 4,4'-bis(6-hydroxy-1-hexyloxy)biphenyl(D). A molecule of D consists of two distinct parts: a stiff biphenyl group and two flexible (CH 2 ) 6 OH chains. The potential energy was calculated using the pcff_300 force field in Cerius 2 modelling environment.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BM - Solid-state physics and magnetism
OECD FORD branch
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Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2001
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Molecular Structure
ISSN
0022-2860
e-ISSN
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Volume of the periodical
559
Issue of the periodical within the volume
1-3
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
9
Pages from-to
209-217
UT code for WoS article
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EID of the result in the Scopus database
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