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_charge0_mult5 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UwB97XD | 6-31g(d,p); 6-31+g(d,p) | -1871.57920601; Eh | |||
 | 24-Apr-2019 | G32_G89_charge1_mult4 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UwB97XD | 6-31g(d,p); 6-31+g(d,p) | -1872.63661995; Eh | |||
 | 24-Apr-2019 | G32_G89_charge1_mult2 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UwB97XD | 6-31g(d,p); 6-31+g(d,p) | -1872.68726082; Eh | |||
 | 24-Apr-2019 | G32_P109_charge0_mult4 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UwB97XD | 6-31g(d,p); 6-31+g(d,p) | -1872.20327501; Eh | |||
 | 24-Apr-2019 | G32_P109_charge0_mult2 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UwB97XD | 6-31g(d,p); 6-31+g(d,p) | -1872.24662319; Eh | |||
 | 24-Apr-2019 | G32_P109_OH29 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UwB97XD | 6-31g(d,p); 6-31+g(d,p) | -1947.88608209; Eh | |||
 | 24-Apr-2019 | G32_P109_OH33 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UwB97XD | 6-31g(d,p); 6-31+g(d,p) | -1947.88664100; Eh | |||
 | 24-Apr-2019 | G32_P109_OH21 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UwB97XD | 6-31g(d,p); 6-31+g(d,p) | -1947.86832985; Eh | |||
 | 24-Apr-2019 | G32_P109_OH24 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UwB97XD | 6-31g(d,p); 6-31+g(d,p) | -1947.86445246; Eh | |||
 | 24-Apr-2019 | G32_P109_OH65 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UwB97XD | 6-31g(d,p); 6-31+g(d,p) | -2022.97402812; Eh |
Results 11-20 of 79 (Search time: 0.002 seconds).