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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Dec-2018	ts-H-CO2TeK	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-160.20876192; eV
	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
	19-Sep-2018	/0_electrons/2_H+/Mo2O2S6H2 BA1	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	TZ2P	-2.60475893; Eh
	19-Sep-2018	/0_electrons/2_H+/Mo2O2S6H2 BA2	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	TZ2P	-2.60339154; 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
	12-Dec-2018	ts-H-CO2S	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-157.42819379; eV
	8-May-2019	/FeN4 FeN4-CO	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-667.74637119; eV
	22-Jul-2018	/ADF/ADF_P1/H2 H2	Petrus, Enric	ADF; 2016	Geometry optimization Minimum	DFT	TZP	-

Results 25041-25050 of 104445 (Search time: 0.015 seconds).