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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 pf3auph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1119.71250987; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes nhcalcl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g* | -1849.50507412; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes pf3oso3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -956.434968329; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes nhcauph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -705.003097932; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes pme3cro3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -773.858386903; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes pf3k | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -669.135372607; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes pf3conh35 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1068.66377061; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes pf3nbnh24 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -921.696976633; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes pf3cunh33 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1007.47755786; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes nh3wco5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -690.494718145; Eh |
Results 3791-3800 of 4310 (Search time: 0.005 seconds).