Please use this identifier to cite or link to this item:
https://olympias.lib.uoi.gr/jspui/handle/123456789/9844| Title: | Vibrational frequencies of amides and amide dimers: The assessment of PW91(xc) functional |
| Institution and School/Department of submitter: | Πανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Χημείας |
| Keywords: | periodic boundary-conditions,level ab-initio,center-dot-o=c,van-der-waals,force-fields,n-methylacetamide,conformational behavior,interaction energies,density functionals,electron-affinities |
| URI: | https://olympias.lib.uoi.gr/jspui/handle/123456789/9844 |
| ISSN: | 1089-5639 |
| Link: | <Go to ISI>://000223600700021 http://pubs.acs.org/doi/pdfplus/10.1021/jp049563d |
| Appears in Collections: | Άρθρα σε επιστημονικά περιοδικά ( Ανοικτά). ΧΗΜ |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| Papamokos-2004-Vibrational frequenc.pdf | 246.88 kB | Adobe PDF | View/Open Request a copy |
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