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Showing results 41 to 60 of 194 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
7-Apr-2019	/Catalytic_cycle_1 T4Anti_Si_Up_Trans_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-2278.23990513; Eh
7-Apr-2019	/Catalytic_cycle_1 T4Syn_Re_Down_Cis_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-2278.26226208; Eh
7-Apr-2019	/Catalytic_cycle_1 T4Syn_Re_Down_Trans_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM062X	-	-2278.23161868; Eh
7-Apr-2019	/Catalytic_cycle_1 T4Syn_Re_Up_Cis_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-2278.26226208; Eh
7-Apr-2019	/Catalytic_cycle_1 T4Syn_Re_Up_Trans_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-2278.24935864; Eh
7-Apr-2019	/Catalytic_cycle_1 T4Syn_Si_Down_Cis_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-2278.24429473; Eh
7-Apr-2019	/Catalytic_cycle_1 T4Syn_Si_Down_Trans_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-2278.24226991; Eh
7-Apr-2019	/Catalytic_cycle_1 T4Syn_Si_Up_Cis_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-2278.25584049; Eh
7-Apr-2019	/Catalytic_cycle_1 T4Syn_Si_Up_Trans_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-2278.23501686; Eh
7-Apr-2019	/Catalytic_cycle_1 T5Anti_Si_Up_Trans_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM062X	-	-2278.26016321; Eh
7-Apr-2019	/Catalytic_cycle_1 T6Anti_Si_Up_Trans_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-2278.27843489; Eh
7-Apr-2019	/Catalytic_cycle_1 T6Syn_Si_Up_Trans_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-2278.27352103; Eh
7-Apr-2019	/Catalytic_cycle_1 T_scis_strans_Cinn	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-422.470454513; Eh
7-Apr-2019	/Catalytic_cycle_2 (3R,3aR)-Furanone	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1227.13080652; Eh
7-Apr-2019	/Catalytic_cycle_2 (3R,3aS)-Furanone	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-767.682290147; Eh
7-Apr-2019	/Catalytic_cycle_2 (3S,3aR)-Furanone	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-767.682290002; Eh
7-Apr-2019	/Catalytic_cycle_2 (3S,3aS)-Furanone	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1227.13243552; Eh
7-Apr-2019	/Catalytic_cycle_2 T4Anti_Re_Down_Cis_2	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1818.80779613; Eh
7-Apr-2019	/Catalytic_cycle_2 T4Anti_Re_Down_Trans_2	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1818.79304599; Eh
7-Apr-2019	/Catalytic_cycle_2 T4Anti_Re_Up_Cis_2	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM062X	-	-1818.80801583; Eh

Showing results 41 to 60 of 194 < previous next >