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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 I5_HHO2SiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | - | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_H3SiPh_in_toluene T10a_HHO2SiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1478.98102673; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_Theosilane_in_THF I3_Theosilane | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -1556.38576428; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_Theosilane_in_THF T4_Theosilane | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1556.36556862; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_Theosilane_in_THF I2_Theosilane | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -1556.37441835; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_Theosilane_in_THF T3_Theosilane | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1556.37288534; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_Theosilane_in_THF T1_Theosilane | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1556.36589780; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_Theosilane_in_THF I1_Theosilane | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -1556.37655723; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_Theosilane_in_THF Theosilane | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -750.879678346; Eh | ||||
| 8-Nov-2018 | /water/complexes aq-ofenofecl2sextup_new | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1274.2784834; Eh |
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