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. |
---|---|---|---|---|---|---|---|---|---|---|---|
24-Apr-2019 | P12_P109_OOH25 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RwB97XD | 6-31g(d,p); 6-31+g(d,p) | -2022.38488964; Eh | ||||
24-Apr-2019 | P12_P109_OOH29 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RwB97XD | 6-31g(d,p); 6-31+g(d,p) | -2022.38025366; Eh | ||||
24-Apr-2019 | P12_P109_OOH28 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RwB97XD | 6-31g(d,p); 6-31+g(d,p) | -2022.37907828; Eh | ||||
24-Apr-2019 | P12_P109_OOH21 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RwB97XD | 6-31g(d,p); 6-31+g(d,p) | -2022.43328445; Eh | ||||
24-Apr-2019 | P12_P109_OOH24 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RwB97XD | 6-31g(d,p); 6-31+g(d,p) | -2022.35699509; Eh | ||||
24-Apr-2019 | P12_P109_OOH32 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RwB97XD | 6-31g(d,p); 6-31+g(d,p) | -2022.44526154; Eh | ||||
24-Apr-2019 | P12_P109_OOH-81 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UwB97XD | 6-31g(d,p); 6-31+g(d,p) | -2022.56615673; Eh | ||||
24-Apr-2019 | P12_P109_OOH-61 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UwB97XD | 6-31g(d,p); 6-31+g(d,p) | -2022.59855766; Eh | ||||
24-Apr-2019 | G32_G89_OOH104 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RwB97XD | 6-31g(d,p); 6-31+g(d,p) | -2023.57176063; Eh | ||||
24-Apr-2019 | G32_G89_OOH16 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RwB97XD | 6-31g(d,p); 6-31+g(d,p) | -2023.57750723; Eh |
Results 121-130 of 382 (Search time: 0.001 seconds).
Discover
Subject
- 169 electrocatalysis
- 169 N-doped carbon
- 169 oxygen reduction reaction
- 146 arene
- 146 CASPT2
- 146 coordination complexes
- 146 multireference methods
- 146 uranium
- 67 Ag
- 67 AgO
- next >