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Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | a_alkoxide | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -3037.88878912; Eh | ||
 | a_hemicarb | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -3226.45700511; Eh | ||
 | b_alkoxide | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -3037.88813471; Eh | ||
 | b_hemicarb | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -3226.45181501; Eh | ||
 | am_alkoxide | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -3037.89007616; Eh | ||
 | am_hemicarb | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -3226.45200875; Eh | ||
 | b2_alk | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -3037.87821618; Eh | ||
 | b2_hemicarb | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -3226.45986737; Eh | ||
 | orig_epoxide | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -462.300782036; Eh | ||
 | ta_syn_cis_cyc | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -650.858077328; Eh | ||
 | syn_cis_cyc | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -650.867336092; Eh | ||
 | isom_epoxide | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -462.296909838; Eh | ||
 | bromide | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -2575.60499591; Eh | ||
 | co2 | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -188.536756131; Eh | ||
 | TMABr | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -2789.80988227; Eh | ||
 | TMAcation | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -214.190061342; Eh |
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