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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-Aug-2018 | IX1 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31g(d); sdd | -1098.50417907; Eh | |||
 | 30-Aug-2018 | IX2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31g(d); sdd | -1174.94568574; 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 | phenylazide | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31g(d) | -395.857319138; Eh | |||
 | 30-Aug-2018 | N2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31g(d) | -109.523780034; Eh | |||
 | 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 | TS_IX | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RBP86 | 6-31g(d); sdd | -1174.91477106; Eh | |||
 | 30-Aug-2018 | TS_II | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RBP86 | 6-31g(d); sdd | -1147.57523784; Eh | |||
 | 30-Aug-2018 | newTSsqplanarNO2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31g(d); sdd | -1352.11863773; Eh |
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