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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_+_H2SiPh2_in_toluene/Toluene_373K T4_H2SiPh2 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1634.74092883; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_HSi(OCH3)3_in_toluene HSiOCH33_Isomer2 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -635.611291128; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_HSi(OCH3)3_in_toluene I2_HSiOCH33 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -1441.11835057; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_HSi(OCH3)3_in_toluene T1_HSiOCH33 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1441.08907440; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_HSi(OCH3)3_in_toluene T2_HSiOCH33 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1441.10709815; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_Theosilane_in_THF T2_Theosilane | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1556.36960985; Eh | ||||
| 8-Nov-2018 | /water/complexes aq-oaucl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1591.9299062; Eh | ||||
| 24-Feb-2020 | /SupportingStructures/Benchmark/wb97xd Water | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31+G(D,P) | -76.4180817126; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_HSi(OCH3)3_in_toluene T0_HSiOCH33 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1441.09236718; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes ofenoticl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1668.90449366; Eh |
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- 294 Imine Condensation
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