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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
22-May-2018	/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K H2SiPh2_H2SiPh2	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-753.958064468; Eh
22-May-2018	/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K HHOSiPh2_H2SiPh2	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-829.253683779; Eh
22-May-2018	/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K HO2SiPh2_H2SiPh2	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-904.556883341; Eh
22-May-2018	/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K I0_H2SiPh2	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-1559.43510695; Eh
22-May-2018	/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K I1_H2SiPh2	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-1559.44686263; Eh
22-May-2018	/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K I2_H2SiPh2	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-1559.45456477; Eh
22-May-2018	/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K I3_H2SiPh2	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-1634.74794893; Eh
22-May-2018	/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K I4_H2SiPh2	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-1634.75671233; Eh
22-May-2018	/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K Phenylphospholane	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-730.208978175; Eh
22-May-2018	/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K Phenylphospholane_oxide	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-805.487963452; Eh
22-May-2018	/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K T0_H2SiPh2	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1559.43497940; 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	/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K T1_H2SiPh2_Mech3	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1559.42610913; Eh
22-May-2018	/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K T2_H2SiPh2	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1559.44557558; Eh
22-May-2018	/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K T2_H2SiPh2_Mech2	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1559.42689616; Eh
22-May-2018	/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K T3_H2SiPh2	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1559.42531139; Eh
22-May-2018	/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K T4_H2SiPh2	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1634.73214471; Eh
22-May-2018	/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K T5_H2SiPh2	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1634.74653143; Eh
22-May-2018	/1-phenylphospholane_oxide_+_H2SiPh2_in_toluene/Dioxane_373K T6_H2SiPh2	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1634.72857319; 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

Showing results 1 to 20 of 343 next >