Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 12-Jun-2019 | /SPE TS_A53AA_EXO_A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | - | -1531.1485298; Eh | |||
 | 12-Jun-2019 | /SPE TS_A4A5P_ENDO_B | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | cc-pVTZ | -4020.4658307; Eh | |||
 | 12-Jun-2019 | /SPE TS_A4A5P_EXO_A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | cc-pVTZ | -4020.4668162; Eh | |||
 | 12-Jun-2019 | /SPE TS_A53AA_ENDO_B | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | - | -1531.1635467; Eh | |||
 | 12-Jun-2019 | /SPE TS_A3PPA4P_EXO_B | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | cc-pVTZ | -4020.513286; Eh | |||
 | 12-Jun-2019 | /SPE TS_A3A4P_ENDO_B | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | cc-pVTZ | -4020.4322716; Eh | |||
 | 12-Jun-2019 | /SPE TS_A4PA5P_ENDO_A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | cc-pVTZ | -4020.5072232; Eh | |||
 | 12-Jun-2019 | /SPE TS_A4A5P_ENDO_A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | cc-pVTZ | -4020.4647725; Eh | |||
 | 12-Jun-2019 | /SPE TS_A4PA5P_ENDO_B | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | cc-pVTZ | -4020.5094078; Eh | |||
 | 12-Jun-2019 | /SPE TS_A3PB1 | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | cc-pVTZ | -3674.5590763; Eh |
Results 11-20 of 48 (Search time: 0.0 seconds).
Discover
Program name
- 48 Gaussian
Calculation type