Use this url to cite publication: https://cris.mruni.eu/cris/handle/007/35026
Conformational stability of bicycle[3.3.1]nonane-2,6-dione and bicyclo[3.3.1]nonane-2,9-dione: ab initio calculations and vibrational spectroscopy studies
Type of publication
Straipsnis Web of Science ir Scopus duomenų bazėje / Article in Web of Science and Scopus database (S1)
Author(s)
| Author | Affiliation | |
|---|---|---|
Alkauskas, A. | ||
Čeponkus, J. | ||
Vilniaus universitetas | ||
Aleksa, Valdemaras | Vilniaus universitetas | |
Butkus, Eugenijus | Vilniaus universitetas | |
Šablinskas, Valdas | Vilniaus universitetas |
Title [en]
Conformational stability of bicycle[3.3.1]nonane-2,6-dione and bicyclo[3.3.1]nonane-2,9-dione: ab initio calculations and vibrational spectroscopy studies
Publisher (trusted)
Elsevier Science |
Date Issued
| Date |
|---|
2001 |
Extent
p. 517-521
Is part of
Journal of molecular structure. Amsterdam : Elsevier Science, 2001, vol. 563-564.
Research Area
Gamtos mokslai / Natural Sciences (N)
Field of Science
Fizika / Physics (N002)
Abstract (en)
The confortational stability of newly synthesised bicyclo[3.3.1]nonane-2,6- dione CH12O2 (D26) and bicyclo[3.3.1]nonane-2,9-dione C9H12O2 (D29) was studied. Ab initio calculations (HF level using 6-31G basis set) reveal that due to six-membered ring. [...]
Is Referenced by
Media Type (COAR)
TextJournalJournal articleResearch article
ISSN (of the container)
0022-2860
eLABa
2893863
Coverage Spatial
Nyderlandai / Netherlands (NL)
Language
Anglų / English (en)
Bibliographic Details
8
Affiliation(s)
| Journal | IF | AIF | AIF (min) | AIF (max) | Cat | AV | Year | Quartile |
|---|---|---|---|---|---|---|---|---|
JOURNAL OF MOLECULAR STRUCTURE | 0.907 | 0 | 0 | 0 | 1 | 0 | 2001 | Q3 |