Pregled bibliografske jedinice broj: 19270
DFT study of piramidalized olefines
DFT study of piramidalized olefines // Abstgracts of the 7th International Conference on the Applications of the Density Functional Theory in Chemistry and Physics
Beč, 1997. (poster, međunarodna recenzija, sažetak, znanstveni)
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Naslov
DFT study of piramidalized olefines
Autori
Eckert-Maksić, Mirjana ; Margetić, Davor ; Antol, Ivana
Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni
Izvornik
Abstgracts of the 7th International Conference on the Applications of the Density Functional Theory in Chemistry and Physics
/ - Beč, 1997
Skup
International Conference on the Applications of the Density Functional Theory in Chemistry and Physics (7 ; 1997)
Mjesto i datum
Beč, Austrija, 02.09.1997. - 06.09.1997
Vrsta sudjelovanja
Poster
Vrsta recenzije
Međunarodna recenzija
Ključne riječi
DFT; MP2; calculations; pyramidalisation; norbornenes
Sažetak
Results of MP2 and DFT calculations on syn-sesquinorbornene are reported. B3LYP/6-31G* calculated geometries of the considered molecules are in reasonable agreement wit the experimental data.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
