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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 sime3fecl2sextup | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1453.67828156; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes sih3-rhh2o5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -783.472562112; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes pme3ZrCl5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2809.65297993; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes sih3-cro3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -604.112230277; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes shconh35 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -827.025507313; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes pme3pdhph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -1275.79731777; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes sih3-znch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -558.357036595; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes shalcl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g* | -2022.18130639; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes sih3-ptf5singlete | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -910.005780703; Eh | |||
 | 9-Nov-2018 | /vacuum/complexes pf3ircoph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1544.88260560; Eh |
Results 3731-3740 of 4310 (Search time: 0.005 seconds).