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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Oct-2016 | /Dimer/Al_Cl_I/Poly/Extra/ICp1/Next Next | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D3 | 6-31G* | -3177.95534390; Eh | |||
 | 17-Oct-2016 | /Dimer/Al_Cl_I/Poly/Final_Product/SOLV SOLV | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D3 | 6-311G** | -3488.51685850; Eh | |||
 | 17-Oct-2016 | /Dimer/Al_Cl_I/Reactants/Dimer Dimer | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D3 | 6-311G** | -2359.08115893; Eh | |||
 | 17-Oct-2016 | /Dimer/Al_H_I/RO/Int1/SOLV SOLV | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D3 | 6-311G** | -2507.94953640; Eh | |||
 | 17-Oct-2016 | /Dimer/Al_Cl_Cl/RO/TS TS | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB97D3 | 6-311G** | -2683.95097062; Eh | |||
 | 17-Oct-2016 | /Dimer/Al_Cl_I/Poly/Scans/Scan2/Sum/Freq/FAIL FAIL | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Structure | RB97D3 | 6-31G* | -3177.92698911; Eh | |||
 | 17-Oct-2016 | /Dimer/Al_Cl_I/Poly/Extra/ICp1 ICp1 | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D3 | 6-31G* | -3021.99232194; Eh | |||
 | 17-Oct-2016 | /Dimer/Al_Me_Cl/Insertion/Int3/SOLV SOLV | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D3 | 6-311G** | -3171.70381425; Eh | |||
 | 17-Oct-2016 | /Dimer/Al_Me_Cl/Insertion/Int3 Int3 | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D3 | 6-311G** | -3171.64014332; Eh | |||
 | 17-Oct-2016 | /Dimer/Al_Cl_I/Poly/Int_p/SOLV SOLV | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D3 | 6-311G** | -3178.78763403; Eh |
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