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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 T1b_H3SiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1328.37987437; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes ofenowco5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -863.944734215; Eh | ||||
| 11-Apr-2021 | /Diels_Alder h9-gp | Sanchez Pladevall, Bruna | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | 6-311++G(D,P) | -539.678029242; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Toluene_373K H2SiPh2 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -753.963798143; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_HSi(OCH3)3_in_toluene HSiOCH33_Isomer1 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -635.610547640; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_HSi(OCH3)3_in_toluene HSiOCH33_Isomer3 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -635.611987042; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_HSi(OCH3)3_in_toluene I0_HSiOCH33 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -1441.09253693; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_HSi(OCH3)3_in_toluene HSiOCH33_Isomer4 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -635.610369957; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_HSi(OCH3)3_in_toluene I1_HSiOCH33 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -1441.10838713; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_HSi(OCH3)3_in_toluene HOSiOCH33 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -710.916140132; Eh |
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