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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 sime3cunh33 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -776.170508649; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes pf3rhh2o5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1132.57126044; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes pme3conh35 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -888.894814901; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes sih3-mosh3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -1555.94352987; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes sfecl2sextup | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | UB3LYP | 6-31+g*; sdd | -1442.73913000; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes pme3rush4 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2151.33536118; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes sih3-conh35 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -719.516778513; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes sime3cro3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -722.098836071; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes sih3-wco5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -925.303893568; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes pme3mno3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -790.837036825; Eh |
Results 3741-3750 of 4310 (Search time: 0.005 seconds).