Behavioral pattern exploration of single guest, hexadecane-1,16-diol and hexadecane in urea inclusion compounds via molecular dynamics simulation
The urea inclusion compounds, a unique polar organic crystalline complex, are considered as a potential candidate for a molecular separator of long chain alkane molecule. A well-defined structure of the crystalline channel systems constructed from hydrogen bonding arrangement of the urea molecules,...
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| Main Authors: | , , , , , |
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| Format: | Article |
| Published: |
World Scientific Publishing Co. Pte Ltd
2016
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| Subjects: | |
| Online Access: | http://eprints.utm.my/id/eprint/72144/ https://www.scopus.com/inward/record.uri?eid=2-s2.0-84981225782&doi=10.1142%2fS0219633616500474&partnerID=40&md5=c2efbffe8dabde7d20108ee9518031e3 |
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