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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Apr-2019	Ms_TSOxAdd_c1_c2	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-2267.0342275; Eh
	30-Apr-2019	Ms_TS_c2p_c3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-2267.0384689; Eh
	30-Apr-2019	Ms_MECP_c1_c2_F	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-2267.0419802; Eh
	30-Apr-2019	Ms_MECP_c4_c5	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-2267.1015981; Eh
	30-Apr-2019	c4-p	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G**	-2537.5759449; Eh
	30-Apr-2019	c3-p	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G**	-2537.5665661; Eh
	7-Apr-2019	/Epimerization_of_the_3R_S_center EpiT3_CisDD_to_TransDU_2	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1059.70635872; Eh
	7-Apr-2019	/Epimerization_of_the_3R_S_center EpiT2_CisDD_to_TransDU_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1098.97091643; Eh
	30-Sep-2021	/Water/TS_water ch3nhcho-OTf-ts_6311+Gd_aq	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1171.00870326; Eh
	3-Oct-2019	DMF_sp2_ts_pdpme3_s_cis	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3392.14411453; Eh

Results 7021-7030 of 12842 (Search time: 0.007 seconds).