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 | ||
 | ts_a_cycl | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -3226.43804356; Eh | ||
 | ts_a_to_am_hemicarb | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -3226.43404105; Eh | ||
 | ts_to_a_alk | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -3037.88329665; Eh | ||
 | ts_conc_to_a_hemicarb | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -3226.43382560; 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 | ||
 | ts_b_cycl | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -3226.43076983; Eh | ||
 | ts_to_b_alk | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -3037.88302254; Eh | ||
 | ts_conc_to_b_hemicarb | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -3226.42629714; Eh | ||
 | ts_b_to_b_hemicarb | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -3226.43554734; 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 | ||
 | ts2_am_alk | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -3037.88632158; Eh | ||
 | ts_am_cycl | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -3226.43643597; Eh | ||
 | ts_am_to_a_hemicarb | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -3226.43479010; Eh | ||
 | ts_h_migr_a_am | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -3037.88716540; Eh | ||
 | conc_ts2_to_am_hemicarb | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -3226.42579384; 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 | ||
 | conc_ts_to_b2hemicarb | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -3226.42651216; Eh | ||
 | ts2_b2_alk | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -3037.87713815; Eh | ||
 | ts_b2_cycl | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -3226.43484388; Eh | ||
 | orig_epoxide | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | 6-311G(D,P) | -462.300782036; Eh |
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