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Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | THF | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | RB97D | 6-31g* | -232.278247223; Eh | ||
 | I3_TpAg(N2CHCO2Et) | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | RB97D | 6-31g*; lanl2dz | -4637.93935649; Eh | ||
 | N2CHCO2Et | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | RB97D | 6-31g* | -415.673385500; Eh | ||
 | N2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | RB97D | 6-31g* | -109.452344644; Eh | ||
 | I4_TpAg=carbene | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | RB97D | 6-31g*; lanl2dz | -4528.44874152; Eh | ||
 | I5_TpAgcarbene(CH4) | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | RB97D | 6-31g*; lanl2dz | -4568.94464288; Eh | ||
 | product | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | RB97D | 6-31g* | -346.785857742; Eh | ||
 | I6_TpAg(product) | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | RB97D | 6-31g*; lanl2dz | -4569.04528996; Eh | ||
 | methane | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | RB97D | 6-31g* | -40.4888420983; Eh | ||
 | I1_TpAgTHF | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | RB97D | 6-31g*; lanl2dz | -4454.55532093; Eh | ||
 | TS1_N2estr | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | RB97D | 6-31g*; lanl2dz | -4637.90176003; Eh | ||
 | I2_TpAg | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | RB97D | 6-31g*; lanl2dz | -4222.22973916; Eh | ||
 | P1 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | RB97D | 6-31g*; lanl2dz | -4608.22917600; Eh |
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