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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-Nov-2022 | c60znttp-acceptor-n | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RCAM-B3LYP | DEF2SVP | -2283.3108938; Eh | |||
 | 30-Nov-2022 | c60tpa | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RCAM-B3LYP | DEF2SVP | -3203.9196533; Eh | |||
 | 30-Nov-2022 | c60tpa-acceptor-n | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RCAM-B3LYP | DEF2SVP | -787.9946749; Eh | |||
 | 30-Nov-2022 | c60tpa-donor-n | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RCAM-B3LYP | DEF2SVP | -2417.1219945; Eh | |||
 | 30-Nov-2022 | c60tpa-acceptor-n+1 | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UCAM-B3LYP | DEF2SVP | -787.9571995; Eh | |||
 | 30-Nov-2022 | c60znttp | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RCAM-B3LYP | DEF2SVP | -7188.1119612; Eh | |||
 | 30-Nov-2022 | c60tpa-donor-n-1 | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UCAM-B3LYP | DEF2SVP | -2416.8488675; Eh | |||
 | 30-Nov-2022 | c59npc-donor-n | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RCAM-B3LYP | DEF2SVP | -3876.902601; Eh | |||
 | 30-Nov-2022 | c60az-donor-n-1 | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UCAM-B3LYP | DEF2SVP | -699.1586465; Eh | |||
 | 30-Nov-2022 | c60az-acceptor-n | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RCAM-B3LYP | DEF2SVP | -2456.3775397; Eh |
Results 1-10 of 20 (Search time: 0.001 seconds).
Discover
Method
- 12 RCAM-B3LYP
- 8 UCAM-B3LYP