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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_Me_I/RO/TS/SOLV SOLV | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D3 | 6-311G** | -2979.56532895; Eh | ||||
17-Oct-2016 | /Dimer/Al_Me_Cl/Poly/Dec_TS/SOLV SOLV | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D3 | 6-311G** | -3481.44814649; Eh | ||||
17-Oct-2016 | /Dimer/Al_Me_Cl/Poly/Int_p/SOLV SOLV | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D3 | 6-311G** | -3481.45762605; Eh | ||||
17-Oct-2016 | /Dimer/Al_Cl_Cl/Insertion/TS3/SOLV SOLV | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D3 | 6-311G** | -2872.58404455; Eh | ||||
17-Oct-2016 | /Dimer/Al_Me_Cl/Poly/TS_p/SOLV SOLV | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D3 | 6-311G** | -3481.42733677; Eh | ||||
17-Oct-2016 | /Initiation_Insertion/Int3/SOLV SOLV | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D3 | 6-311G** | -1689.43986244; Eh | ||||
17-Oct-2016 | /Dimer/Al_Cl_Cl/Poly/TS_p/SOLV SOLV | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D3 | 6-311G** | -3182.33182575; Eh | ||||
17-Oct-2016 | /Dimer/Al_Cl_Cl/Insertion/Int2/SOLV SOLV | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D3 | 6-311G** | -2872.59285755; Eh | ||||
17-Oct-2016 | /Dimer/Al_Cl_Cl/Insertion/TS2/SOLV SOLV | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D3 | 6-311G** | -2872.58979787; Eh | ||||
17-Oct-2016 | /Dimer/Al_Me_Cl/Insertion/TS3/SOLV SOLV | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D3 | 6-311G** | -3171.69052920; Eh |
Results 11-20 of 118 (Search time: 0.002 seconds).