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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 fenilclZrCl5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -3039.73355073; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes fenilclptf5singlete | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -1309.97161699; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes cchticl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -1515.88294719; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes chch2ZrCl5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -2426.44986546; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes fenilclpdph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -1162.39645946; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes cchfeco4axial | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -654.139638385; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes fenilclznch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -958.311322831; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes fenilclpdhph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -1506.09371145; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes chch2mno3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -407.946047864; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes fenilclticl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -2130.39032126; Eh |
Results 91-100 of 648 (Search time: 0.002 seconds).