DA_fullerenes
CC-BY-4.0
The original dataset source can be reviewed here
Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-8-7
Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-8-7
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | C76-1_TS_11 | Pla Terrada, Paula | Gaussian; 09; EM64L-G09RevE.01 | RM062X | 6-31G(D,P) | -3050.91813490; Eh | ||
 | /C70-1/TS C70-1_TS_1 | Pla Terrada, Paula | Gaussian; 09; EM64L-G09RevE.01 | RM062X | 6-31G(D,P) | -2822.35209939; Eh | ||
 | /C70-1/TS C70-1_TS_2 | Pla Terrada, Paula | Gaussian; 09; EM64L-G09RevE.01 | RM062X | 6-31G(D,P) | -2822.35256163; Eh | ||
 | /C70-1/TS C70-1_TS_3 | Pla Terrada, Paula | Gaussian; 09; EM64L-G09RevE.01 | RM062X | 6-31G(D,P) | -2822.34429003; Eh | ||
 | /C70-1/TS C70-1_TS_4 | Pla Terrada, Paula | Gaussian; 09; EM64L-G09RevE.01 | RM062X | 6-31G(D,P) | -2822.33688850; Eh | ||
 | /C70-1/TS C70-1_TS_5 | Pla Terrada, Paula | Gaussian; 09; EM64L-G09RevE.01 | RM062X | 6-31G(D,P) | -2822.32982337; Eh | ||
 | /C70-1/TS C70-1_TS_6 | Pla Terrada, Paula | Gaussian; 09; EM64L-G09RevE.01 | RM062X | 6-31G(D,P) | -2822.33186174; Eh | ||
 | /C70-1/TS C70-1_TS_7 | Pla Terrada, Paula | Gaussian; 09; EM64L-G09RevE.01 | RM062X | 6-31G(D,P) | -2822.32596168; Eh | ||
 | /C70-1/TS C70-1_TS_8 | Pla Terrada, Paula | Gaussian; 09; EM64L-G09RevE.01 | RM062X | 6-31G(D,P) | -2822.31283660; Eh | ||
 | /C70-1/TS C70-1_TS_2_freq | Pla Terrada, Paula | Gaussian; 09; EM64L-G09RevE.01 | RM062X | 6-31G(D,P) | - | ||
 | /C70-1/Product C70-1_prod_1 | Pla Terrada, Paula | Gaussian; 09; EM64L-G09RevE.01 | RM062X | 6-31G(D,P) | -2822.42448145; Eh | ||
 | /C70-1/Product C70-1_prod_8 | Pla Terrada, Paula | Gaussian; 09; EM64L-G09RevE.01 | RM062X | 6-31G(D,P) | -2822.35060679; Eh | ||
 | /C70-1/Product C70-1_prod_7 | Pla Terrada, Paula | Gaussian; 09; EM64L-G09RevE.01 | RM062X | 6-31G(D,P) | -2822.38029718; Eh | ||
 | /C70-1/Product C70-1_prod_6 | Pla Terrada, Paula | Gaussian; 09; EM64L-G09RevE.01 | RM062X | 6-31G(D,P) | -2822.39561725; Eh | ||
 | /C70-1/Product C70-1_prod_5 | Pla Terrada, Paula | Gaussian; 09; EM64L-G09RevE.01 | RM062X | 6-31G(D,P) | -2822.39305719; Eh | ||
 | /C70-1/Product C70-1_prod_4 | Pla Terrada, Paula | Gaussian; 09; EM64L-G09RevE.01 | RM062X | 6-31G(D,P) | -2822.39707238; Eh | ||
 | /C70-1/Product C70-1_prod_3 | Pla Terrada, Paula | Gaussian; 09; EM64L-G09RevE.01 | RM062X | 6-31G(D,P) | -2822.41368541; Eh | ||
 | /C70-1/Product C70-1_prod_2 | Pla Terrada, Paula | Gaussian; 09; EM64L-G09RevE.01 | RM062X | 6-31G(D,P) | -2822.42723229; Eh | ||
 | /C70-7854/TS C70-7854_TS_1 | Pla Terrada, Paula | Gaussian; 09; EM64L-G09RevE.01 | RM062X | 6-31G(D,P) | - | ||
 | /C70-7854/TS C70-7854_TS_2 | Pla Terrada, Paula | Gaussian; 09; EM64L-G09RevE.01 | RM062X | 6-31G(D,P) | -2822.18761490; Eh |
Collection's Items (Sorted by in order): 1 to 20 of 508
