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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Nov-2018 | /water/complexes aq-sime3ZrCl5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2757.9865113; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes pcl3cro3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2034.69737182; Eh | |||
 | 8-Nov-2018 | /water/complexes aq-sime3znch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -676.3543454; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes pcl3conh35 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2149.71343544; Eh | |||
 | 8-Nov-2018 | /water/complexes aq-sime3rush4 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2099.6321389; Eh | |||
 | 8-Nov-2018 | /water/complexes aq-sime3tame4piram | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -625.9354926; Eh | |||
 | 8-Nov-2018 | /water/complexes aq-sime3ticl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1848.4244136; Eh | |||
 | 8-Nov-2018 | /water/complexes aq-sime3wco5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1043.3437084; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes pcl3auph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2200.73484977; Eh | |||
 | 8-Nov-2018 | /water/complexes aq-sime3oso3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -725.4814696; Eh |
Results 11-20 of 3159 (Search time: 0.002 seconds).