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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-Aug-2018 | Toluene | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31g(d) | -271.558127933; Eh | |||
 | 30-Aug-2018 | VIII_singlet | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31g(d); sdd | -1386.13884354; Eh | |||
 | 30-Aug-2018 | newTSsqplanarNO2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31g(d); sdd | -1352.11863773; Eh | |||
 | 30-Aug-2018 | nitrophenylazide | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31g(d) | -600.388598025; Eh | |||
 | 30-Aug-2018 | H2O2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31g(d) | -151.550686192; Eh | |||
 | 30-Aug-2018 | I3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31g(d); sdd | -828.167872685; Eh | |||
 | 30-Aug-2018 | I2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31g(d); sdd | -616.970565543; Eh | |||
 | 30-Aug-2018 | PhCH2CH2Ph | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31g(d) | -541.925064860; Eh | |||
 | 30-Aug-2018 | I1 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31g(d); sdd | -730.850341693; Eh | |||
 | 30-Aug-2018 | benzylalcohol | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31g(d) | -346.771318955; Eh |
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