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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Nov-2018 | /vacuum/complexes h2smno3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -729.021067034; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes h2sk | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -427.553162955; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes h2sauph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -878.127785691; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes fenilomefeco4axial | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -923.570688220; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes fenilomepdph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -817.319863775; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes h2fecl2sextup | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | UB3LYP | 6-31+g*; sdd | -1045.24323401; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes fenilomemno3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -676.145270386; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes scnpdhph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -1305.92430405; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes fenilomeoso3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -662.277477110; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes scnmosh3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -1755.72224957; Eh |
Results 51-60 of 648 (Search time: 0.001 seconds).