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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Sep-2018	/0_electrons/2_H+/Mo2O2S6H2 BC1	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	TZ2P	-2.60151686; Eh
	19-Sep-2018	/0_electrons/2_H+/Mo2O2S6H2 BC2	Bandeira, Nuno	ADF; 2017	Geometry optimization TS	DFT	TZ2P	-2.59908294; Eh
	19-Sep-2018	/0_electrons/2_H+/Mo2O2S6H2 BB3	Bandeira, Nuno	ADF; 2017	Geometry optimization TS	DFT	TZ2P	-2.62037781; Eh
	3-Oct-2019	DMF_sp2_ts_pdpme32_c_transnoulliu_fromTHF	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3853.29214136; Eh
	3-Oct-2019	DMF_sp2_ts_pdpme32_s_translliulliu	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3853.28356157; Eh
	3-Oct-2019	DMF_sp2_ts_pdpme32_s_translliufix	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3853.24210643; Eh
	3-Oct-2019	DMF_sp2_ts_pdpme32_s_cis	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3853.29214135; Eh
	3-Oct-2019	DMF_sp2_ts_pdpme32_c_transnoulliunou	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	-	6-31+G(D,P) SDD	-3853.28331398; Eh
	12-Dec-2018	ts-H-CO2SK	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-161.06277261; eV
	7-Apr-2019	/Epimerization_of_the_3R_S_center EpiI1_CisDD_to_TransDU_2	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1059.70599279; Eh

Results 24331-24340 of 104471 (Search time: 0.015 seconds).