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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 Int_1 | Bandeira, Nuno | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | - | -1032.60542923; 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 Product | Bandeira, Nuno | Gaussian; 09; EM64L-G09RevC.01 | Single point Structure | RM06 | - | -1111.21456735; Eh | |||
 | 25-Nov-2016 | /Gamma_butirolactone/Optimisations Int_2 | Bandeira, Nuno | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | - | -1032.57498284; 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/Optimisations Int_3 | Bandeira, Nuno | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | - | -1032.58751681; Eh | |||
 | 25-Nov-2016 | /Gamma_butirolactone/Optimisations Product | Bandeira, Nuno | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | - | -1032.60167941; Eh | |||
 | 25-Nov-2016 | /7_membered_lactone/Solvated_Single_points Int_2 | Bandeira, Nuno | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | - | -1111.18566061; Eh | |||
 | 25-Nov-2016 | /7_membered_lactone/Optimisations Int_2 | Bandeira, Nuno | Gaussian; 09; EM64L-G09RevC.01 | Geometry optimization Minimum | RM06 | - | -1111.15536132; 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 |
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