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. |
---|---|---|---|---|---|---|---|---|---|---|---|
14-Jul-2015 | radicalP7_5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB97D | 6-31g* | -236.227224205; Eh | ||||
14-Jul-2015 | radicalP7_3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB97D | 6-31g* | -236.227165726; Eh | ||||
14-Jul-2015 | radicalP8_3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB97D | 6-31g* | -196.941000086; Eh | ||||
14-Jul-2015 | radicalP8_2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB97D | 6-31g* | -196.941367497; Eh | ||||
14-Jul-2015 | radicalP9_3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB97D | 6-31g* | -196.942515465; Eh | ||||
14-Jul-2015 | radicalP7_4 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB97D | 6-31g* | -236.227224428; Eh | ||||
14-Jul-2015 | radicalP4_2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB97D | 6-31g* | -196.939996404; Eh | ||||
14-Jul-2015 | radicalP7_1 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB97D | 6-31g* | -236.227237274; Eh | ||||
14-Jul-2015 | radicalP4_1 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB97D | 6-31g* | -196.940628492; Eh | ||||
14-Jul-2015 | radicalP7_2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB97D | 6-31g* | -236.226606168; Eh |
Results 41-50 of 92 (Search time: 0.002 seconds).