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 | /OPTFREQ TS_C1A2 | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RB3LYP | cc-pVDZ | -3674.19607774; Eh | |||
 | 12-Jun-2019 | /OPTFREQ TS_A53AA_EXO_B | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RB3LYP | - | -1530.98246498; Eh | |||
 | 12-Jun-2019 | /OPTFREQ TS_A4PA5P_EXO_A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RB3LYP | cc-pVDZ | -4020.16364419; Eh | |||
 | 12-Jun-2019 | /OPTFREQ TS_A53AA_EXO_A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RB3LYP | - | -1530.97978042; Eh | |||
 | 12-Jun-2019 | /OPTFREQ TS_A53AA_ENDO_B | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RB3LYP | - | -1530.99018686; Eh | |||
 | 12-Jun-2019 | /OPTFREQ TS_A4PA5P_EXO_B | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RB3LYP | cc-pVDZ | -4020.16108755; Eh | |||
 | 12-Jun-2019 | /OPTFREQ TS_A53AA_ENDO_A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RB3LYP | - | -1530.99199300; Eh | |||
 | 12-Jun-2019 | /OPTFREQ TS_A4PA5P_ENDO_A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RB3LYP | cc-pVDZ | -4020.15249285; Eh | |||
 | 12-Jun-2019 | /OPTFREQ TS_A4A5P_EXO_A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RB3LYP | cc-pVDZ | -4020.10513394; Eh | |||
 | 12-Jun-2019 | /OPTFREQ TS_A2A3 | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RB3LYP | cc-pVDZ | -3674.25695814; Eh |
Results 1-10 of 26 (Search time: 0.001 seconds).