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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Apr-2019	/Catalytic_cycle_3 I3_Re_Down_Cis_3	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-4046.95871520; Eh
	26-Aug-2024	geom7_w11_opt	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RBP86	6-31G(D)	-840.809930191; Eh
	7-Apr-2019	/Catalytic_cycle_3 T4Syn_Re_Down_Trans_3	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-4622.87138625; Eh
	26-Aug-2024	geom3_w11_HLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311G(D,P)	-841.2025295; Eh
	7-Apr-2019	/Catalytic_cycle_3 T4Anti_Re_Down_Cis_3	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-4622.90409880; Eh
	7-Apr-2019	/Catalytic_cycle_3 T3_Et3NHBF4_Cis_3	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-4763.64035580; Eh
	19-Sep-2018	/1_electron/2_H+/W2O2S8H2 BA3	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	TZ2P	-3.05790584; Eh
	7-Apr-2019	/Catalytic_cycle_3 T4Anti_Re_Down_Trans_3	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Single point TS	RM062X	-	-4622.89007700; Eh
	7-Apr-2019	/Catalytic_cycle_2 T4Syn_Si_Up_Cis_2	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1818.80592378; Eh
	7-Apr-2019	/Catalytic_cycle_2 T4Anti_Si_Down_Trans_2	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1818.79046062; Eh

Results 25901-25910 of 103928 (Search time: 0.013 seconds).