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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_+_HSiPh3_in_toluene HSiPh3 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -985.021479610; Eh | ||||
22-May-2018 | /1-phenylphospholane_oxide_+_H3SiPh_in_toluene T2a_H3SiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1328.39552282; Eh | ||||
22-May-2018 | /1-phenylphospholane_oxide_+_H3SiPh_in_toluene T5a_H2HOSiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1403.69459114; Eh | ||||
22-May-2018 | /1-phenylphospholane_oxide_+_H3SiPh_in_toluene T1a_H3SiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1328.38089453; Eh | ||||
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_+_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 | ||||
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 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 T1_Theosilane | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1556.36589780; Eh |
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