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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Krinas, C. S. | en |
| dc.contributor.author | Demetropoulos, I. N. | en |
| dc.date.accessioned | 2015-11-24T16:39:58Z | - |
| dc.date.available | 2015-11-24T16:39:58Z | - |
| dc.identifier.issn | 0009-2614 | - |
| dc.identifier.uri | https://olympias.lib.uoi.gr/jspui/handle/123456789/8211 | - |
| dc.rights | Default Licence | - |
| dc.subject | trefoil knot | en |
| dc.subject | mechanics | en |
| dc.subject | protein | en |
| dc.subject | chains | en |
| dc.title | A systematic algorithm capable to yield open molecular knots: Application to alkanes, polyethylene oxides and peptides | en |
| heal.type | journalArticle | - |
| heal.type.en | Journal article | en |
| heal.type.el | Άρθρο Περιοδικού | el |
| heal.identifier.primary | DOI 10.1016/j.cplett.2006.11.063 | - |
| heal.identifier.secondary | <Go to ISI>://000243900700032 | - |
| heal.identifier.secondary | http://ac.els-cdn.com/S0009261406017179/1-s2.0-S0009261406017179-main.pdf?_tid=4f0f9aab9804068af45945a039325796&acdnat=1335372947_b91215498d91201639386442d7bb8097 | - |
| heal.language | en | - |
| heal.access | campus | - |
| heal.recordProvider | Πανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Χημείας | el |
| heal.publicationDate | 2007 | - |
| heal.abstract | We propose an algorithm that is capable to produce open knotted alkanes, polyethylene oxides and peptides with high or low steric energy at will. The proposed method is quite efficient for small chain lengths, where all other methods fail. The results are validated by applying high level ab initio calculations for selected molecular knots (HF, DFT and MP2). These compounds present substantial interest in the design of new high-tech materials with specific properties. (c) 2006 Elsevier B.V. All rights reserved. | en |
| heal.journalName | Chemical Physics Letters | en |
| heal.journalType | peer reviewed | - |
| heal.fullTextAvailability | TRUE | - |
| Appears in Collections: | Άρθρα σε επιστημονικά περιοδικά ( Ανοικτά). ΧΗΜ | |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| Krinas-2007-A systematic algorit.pdf | 252.95 kB | Adobe PDF | View/Open Request a copy |
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