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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_4 I3_Re_Down_Trans_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1282.12545915; Eh
	7-Apr-2019	/Catalytic_cycle_4 T4Anti_Re_Down_Trans_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1858.06040485; Eh
	7-Apr-2019	/Catalytic_cycle_4 (3R,3aS)-Furanone	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-806.952499681; Eh
	7-Apr-2019	/Catalytic_cycle_4 (3S,3aR)-Furanone	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-806.952499686; Eh
	7-Apr-2019	/Catalytic_cycle_4 (3R,3aR)-Furanone	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-806.951706825; Eh
	7-Apr-2019	/Catalytic_cycle_4 (3S,3aS)-Furanone	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-806.951706825; Eh
	19-Sep-2018	/0_electrons/2_H+/W2O2S8H2 BC1	Bandeira, Nuno	ADF; 2017	Geometry optimization TS	DFT	TZ2P	-2.92613662; Eh
	19-Sep-2018	/0_electrons/2_H+/W2O2S8H2 BA1	Bandeira, Nuno	ADF; 2017	Geometry optimization TS	DFT	TZ2P	-2.93775169; Eh
	21-Jun-2019	/wB97X-D Adduct	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	LanL2DZ; 6-311G**	-1126.33012064; Eh
	19-Sep-2018	/0_electrons/2_H+/W2O2S8H2 BA2	Bandeira, Nuno	ADF; 2017	Geometry optimization TS	DFT	TZ2P	-2.93913727; Eh

Results 25841-25850 of 103928 (Search time: 0.015 seconds).