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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 25-Nov-2016 | /Gamma_butirolactone/Solvated_Single_points Reactants | Bandeira, Nuno | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | - | - | |||
 | 25-Nov-2016 | /Gamma_butirolactone/Solvated_Single_points TS_1 | Bandeira, Nuno | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | - | -1032.59259565; Eh | |||
 | 25-Nov-2016 | /Gamma_butirolactone/Solvated_Single_points Int_2 | Bandeira, Nuno | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | - | -1032.60400216; Eh | |||
 | 25-Nov-2016 | /7_membered_lactone/Solvated_Single_points Int_3 | Bandeira, Nuno | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | - | -1111.20927227; Eh | |||
 | 25-Nov-2016 | /Gamma_butirolactone/Solvated_Single_points TS_2 | Bandeira, Nuno | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | - | -1032.61786729; Eh | |||
 | 25-Nov-2016 | /7_membered_lactone/Solvated_Single_points Int_1 | Bandeira, Nuno | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | - | -1111.18662076; Eh | |||
 | 25-Nov-2016 | /Gamma_butirolactone/Solvated_Single_points Int_3 | Bandeira, Nuno | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | - | -1032.61454954; Eh | |||
 | 25-Nov-2016 | /Gamma_butirolactone/Solvated_Single_points Product | Bandeira, Nuno | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | - | -1032.62626599; Eh | |||
 | 25-Nov-2016 | /7_membered_lactone/Solvated_Single_points Reactants | Bandeira, Nuno | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | - | -1111.20659512; Eh | |||
 | 25-Nov-2016 | /7_membered_lactone/Solvated_Single_points TS_2 | Bandeira, Nuno | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | - | -1111.20468322; Eh |
Results 1-10 of 14 (Search time: 0.001 seconds).