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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Oct-2019	wat_onemetBpf3b	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+G(D,P) SDD GEN	-3380.2414206; Eh
	7-Apr-2019	/Epimerization_of_the_3R_S_center EpiI2_CisDD_to_TransDU_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1098.99226409; Eh
	7-Apr-2019	/Catalytic_cycle_4 I3_Re_Down_Cis_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1282.12981795; Eh
	3-Oct-2019	DMF_sp2_ts_pdpme32_c_transnoulliu_calcall	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3853.28360719; Eh
	7-Apr-2019	/Epimerization_of_the_3R_S_center EpiT3_CisDD_to_TransDU_3	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-3863.80090512; Eh
	7-Apr-2019	/Catalytic_cycle_4 T4Anti_Re_Down_Cis_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1858.07061391; Eh
	3-Oct-2019	DMF_sp2_ts_pdpme32_c_cis	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3853.29214133; Eh
	3-Oct-2019	DMF_sp2_ts_pdpme3_c_cis	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3392.15507409; Eh
	7-Apr-2019	/Epimerization_of_the_3R_S_center EpiI1_CisDD_to_TransDU_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1098.97159709; Eh
	1-Sep-2023	D-1a	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-1455.9065347; Eh

Results 7531-7540 of 13266 (Search time: 0.006 seconds).