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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 | Phenylphospholane_oxide_Toluene_373K | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -805.491774221; Eh | |||
![]() | 22-May-2018 | Phenylphospholane_Toluene_373K | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -730.213305205; Eh | |||
![]() | 22-May-2018 | /1-phenylphospholane_oxide_+_H3SiPh_in_toluene I4a_H2HOSiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -1403.70547947; Eh | |||
![]() | 22-May-2018 | /1-phenylphospholane_oxide_+_H3SiPh_in_toluene I3a_H2HOSiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -1403.69608643; 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 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 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 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 H3SiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -522.907769730; Eh |
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