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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 11-Mar-2018 | /Fragments-Freq H4C4_q0_m3-13 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -154.711780932; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H4C4_q0_m3-15 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -154.673487397; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H4C4_q0_m3-12 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -154.643922891; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H4C4_q0_m3-1 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -154.651252382; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H3C4_q0_m4-7 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -153.976098768; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H2C3_q0_m3-2 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -115.277440462; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H3C4_q0_m4-8 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -153.952645742; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H4C3_q0_m3-7 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -116.612282896; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H2C3_q0_m3-1 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -115.374250221; Eh | |||
 | 11-Mar-2018 | /Fragments-Freq H2C4_q0_m3-3 | Alcami Pertejo, Manuel | Gaussian; 09; ES64L-G09RevD.01 | Single point TS | UB3LYP | - | -153.405733686; Eh |
Results 31-40 of 102 (Search time: 0.001 seconds).
Discover
Program name
- 102 Gaussian