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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Apr-2019	/Epimerization_of_the_3R_S_center EpiI2_CisDD_to_TransDU_2	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1059.72219050; Eh
	7-Apr-2019	/Epimerization_of_the_3R_S_center EpiI3_CisDD_to_TransDU_2	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1059.70494067; Eh
	7-Apr-2019	/Epimerization_of_the_3R_S_center EpiT4_CisDD_to_TransDU_2	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1059.70430901; Eh
	7-Apr-2019	/Catalytic_cycle_4 I3_Re_Up_Cis_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1282.12823045; Eh
	7-Apr-2019	/Catalytic_cycle_4 T4Anti_Re_Up_Cis_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1858.07061378; Eh
	16-Jan-2026	/FG_dataset/group2/ni/111 ni-4802-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-317.32237153; eV
	7-Apr-2019	/Catalytic_cycle_4 I3_Si_Down_Trans_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1282.12279344; Eh
	7-Apr-2019	/Catalytic_cycle_4 T4Anti_Si_Down_Trans_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1858.05948149; Eh
	7-Apr-2019	/Catalytic_cycle_4 T4Syn_Si_Down_Trans_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1858.05659239; Eh
	7-Apr-2019	/Catalytic_cycle_4 T4Syn_Re_Down_Trans_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1858.04325841; Eh

Results 24361-24370 of 104471 (Search time: 0.018 seconds).