Browsing by Author Fianchini, Mauro

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K H2SiPh2_H2SiPh2Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--753.958064468; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K HHOSiPh2_H2SiPh2Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--829.253683779; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K HO2SiPh2_H2SiPh2Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--904.556883341; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K I0_H2SiPh2Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--1559.43510695; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K I1_H2SiPh2Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--1559.44686263; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K I2_H2SiPh2Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--1559.45456477; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K I3_H2SiPh2Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--1634.74794893; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K I4_H2SiPh2Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--1634.75671233; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K PhenylphospholaneFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--730.208978175; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K Phenylphospholane_oxideFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--805.487963452; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K T0_H2SiPh2Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--1559.43497940; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K T1_H2SiPh2_Mech1Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X--1559.43337015; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K T1_H2SiPh2_Mech3Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--1559.42610913; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K T2_H2SiPh2Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--1559.44557558; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K T2_H2SiPh2_Mech2Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--1559.42689616; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K T3_H2SiPh2Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--1559.42531139; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K T4_H2SiPh2Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--1634.73214471; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K T5_H2SiPh2Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--1634.74653143; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K T6_H2SiPh2Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--1634.72857319; Eh
thumbnail.jpeg22-May-2018/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Toluene_373K H2SiPh2Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--753.963798143; Eh