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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-May-2019	INT10	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RB3LYP	-	-3177.67635251; Eh
	2-May-2019	TS2noa	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	-	-2756.80206454; Eh
	2-Aug-2018	MDsnap_trimer2_2900	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2222.84549722; eV
	2-Aug-2018	MDsnap_trimer2_1640	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2223.17010138; eV
	7-Apr-2019	/Catalytic_cycle_1 T4Anti_Re_Down_Trans_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-2278.24203280; Eh
	7-Apr-2019	/Catalytic_cycle_1 I3_Re_Down_Trans_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1473.66018515; 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 T4Anti_Si_Up_Cis_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-2278.23981902; Eh
	7-Apr-2019	/Catalytic_cycle_1 I3_Si_Up_Cis_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1473.66228572; 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

Results 23971-23980 of 104592 (Search time: 0.015 seconds).