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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-Oct-2022 | /template-1/ts2 ts2_FBIAIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3126.54014682; Eh | |||
 | 5-Oct-2022 | /template-1/ts3-a ts3a_BFINIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3126.54095681; Eh | |||
 | 5-Oct-2022 | /template-1/ts2 ts2_BFINIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3126.53050049; Eh | |||
 | 5-Oct-2022 | /template-1/ts3 ts3_FFIAIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3126.54324668; Eh | |||
 | 5-Oct-2022 | /template-1/ts3 ts3_FBIAIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3126.54222318; Eh | |||
 | 5-Oct-2022 | /template-1/ts4 ts4_FFIAIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3126.52358421; Eh | |||
 | 5-Oct-2022 | /template-1/int1 3_FFIAIN | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2218.64632099; Eh | |||
 | 5-Oct-2022 | /template-1/int1 2_FBIAOA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2218.64317281; Eh | |||
 | 5-Oct-2022 | /template-1/int1 1_FBIAIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2218.64761668; Eh | |||
 | 5-Oct-2022 | /template-1/ts4 IRC_forward | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | - | -3126.56991382; Eh |
Results 251-260 of 285 (Search time: 0.002 seconds).