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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 22-May-2018 | /1-phenylphospholane_oxide_+_H3SiPh_in_toluene H(HO)2SiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -673.500825054; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_H3SiPh_in_toluene H2(HO)SiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -598.199902372; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_H3SiPh_in_toluene T3a_H3SiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -1328.37449846; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_H3SiPh_in_toluene (HO)3SiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -748.805416614; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes ofenoznch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -496.843852509; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_H3SiPh_in_toluene T7a_HHO2SiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -1478.98566338; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_H3SiPh_in_toluene I7a_HHO2SiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -1479.01066102; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_H3SiPh_in_toluene I6a_HHO2SiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -1478.99983166; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_H3SiPh_in_toluene T9a_HHO2SiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1478.99841387; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_H3SiPh_in_toluene T8a_HHO2SiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1478.98458466; Eh |
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- 294 Imine Condensation
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