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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 nhcconh35 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -654.003767972; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes pf3ptf5singlete | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1259.72350369; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes pf3cro3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -953.679627817; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes pf3wco5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1274.92354328; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes pf3mosh3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -1905.37703917; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes pme3alcl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g* | -2084.39652215; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes scnticl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -1930.19090542; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes pf3feco4axial | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1218.31767324; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes nh3ZrCl5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2405.10899773; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes pf3rush4 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2331.19348337; Eh |
Results 3781-3790 of 4310 (Search time: 0.005 seconds).