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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_3	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-3863.81826777; Eh
	7-Apr-2019	/Epimerization_of_the_3R_S_center EpiI3_CisDD_to_TransDU_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1098.96905642; Eh
	7-Apr-2019	/Epimerization_of_the_3R_S_center EpiT4_CisDD_to_TransDU_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1098.96879170; Eh
	13-Apr-2021	1O-doped-Ni(100)-3x3-CH2-CHCH2CH3	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-440.56554155; eV
	19-Sep-2018	/0_electrons/1_H+/Mo2O2S8H B2	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	TZ2P	-2.93876636; Eh
	19-Sep-2018	/0_electrons/1_H+/Mo2O2S8H B1	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	TZ2P	-2.94759396; Eh
	3-Oct-2019	DMF_sp2_ts_pdpme3_c_trans2	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3392.15736890; Eh
	16-Jan-2026	/FG_dataset/amidines/au/111 au-4aZ8-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-241.33958627; eV
	6-Aug-2020	/freq/intermediates/Ag/CCl fcc	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-109.63400291; eV
	7-Apr-2019	/Epimerization_of_the_3R_S_center EpiT1_CisDD_to_TransDU_3	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-3863.79832885; Eh

Results 25051-25060 of 104445 (Search time: 0.015 seconds).