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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Sep-2021 | azo-exo-R | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-311++G(2D,2P) | -1107.4596666; Eh | |||
 | 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 |
Results 311-320 of 341 (Search time: 0.0 seconds).
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- 143 RB3LYP
- 102 RM06L
- 51 UB3LYP
- 15 RM062X
- 12 RCAM-B3LYP
- 8 UCAM-B3LYP