Free Access
Table 2
Determination of the rotational constants of 13CHCH
CN using the offset method which is based on the DFT calculations and previous experimental data for doubly 13C-substituted isotopic species of ethyl cyanide.
Parameter | B3LYP/6-311G | Scaled valueb | Scaled valuec | Scaled valued | Experimental data | |
(MHz) | ++(3df, 2pd)a | (this work) | ||||
|
||||||
A | 27 206.198 | 26 680.0348 | 26 685.9764 | 26 691.67 745 | 26 689.77113(20) | |
B | 4542.2798 | 4558.64176 | 4558.130091 | 4559.150643 | 4558.824828(34) | |
C | 4088.5480 | 4087.06373 | 4085.856899 | 4086.646415 | 4086.837211(35) |
Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.
Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.
Initial download of the metrics may take a while.