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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 T6a_H2HOSiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -1403.67680166; 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_+_H2SiPh2_in_toluene/Dioxane_373K T1_H2SiPh2_Mech1 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -1559.43337015; Eh | ||||
22-May-2018 | /Suggested_Synthesis_Theosilane T1_without_NMe3 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -2883.22307189; Eh | ||||
22-May-2018 | /1-phenylphospholane_oxide_+_HSiPh3_in_toluene T1_HSiPh3 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -1790.49408109; Eh | ||||
22-May-2018 | /1-phenylphospholane_oxide_+_HSiPh3_in_toluene T3_HSiPh3 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -1790.49426179; Eh | ||||
9-Feb-2018 | TS-SR-2 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -2444.84558792; Eh | ||||
9-Feb-2018 | TS-RS-2 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -2444.85763506; Eh | ||||
9-Feb-2018 | A | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -1126.70258992; Eh | ||||
9-Feb-2018 | C | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -1126.68760449; Eh |
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