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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 29-Jan-2016 | M2(Freq) | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Structure | RPBEPBE | 6-311G(d,p); LANL2DZ | -5146.12307238; Eh | |||
 | 29-Jan-2016 | M4(Freq) | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Structure | RPBEPBE | 6-311G(d,p); LANL2DZ | -5146.12293310; Eh | |||
 | 29-Jan-2016 | TS6(Freq) | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Structure | RPBEPBE | 6-311G(d,p); LANL2DZ | -5614.97304524; Eh | |||
 | 29-Jan-2016 | TS1(Freq) | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Structure | RPBEPBE | 6-311G(d,p); LANL2DZ | -5146.12093613; Eh | |||
 | 29-Jan-2016 | TS2(Freq) | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Structure | RPBEPBE | 6-311G(d,p); LANL2DZ | -5146.12281577; Eh | |||
 | 29-Jan-2016 | TS4(Freq) | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Structure | RPBEPBE | 6-311G(d,p); LANL2DZ | -5146.12148157; Eh | |||
 | 29-Jan-2016 | TS5(Freq) | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Structure | RPBEPBE | 6-311G(d,p); LANL2DZ | -5146.11839579; Eh | |||
 | 29-Jan-2016 | TS4(Opt) | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Structure | - | 6-311G(d,p); LANL2DZ | -5146.12148136; Eh |
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