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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-May-2016	AgOx_Ag(111)-2H	García, Rodrigo	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Frequencies	-	-	-194.77313910; eV
	19-May-2016	AgOx_Ag(111)-pa+2H	García, Rodrigo	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Frequencies	-	-	-249.54110745; eV
	1-Dec-2017	/Mechanisms/Alternative_Mechanisms/Chelate_EpOH/1Al_Oh_Ep/Scan_H2/Zoom Zoom	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-1838.31980234; Eh
	1-Dec-2017	/Mechanisms/Alternative_Mechanisms/Chelate_EpOH/1Al_Oh/Scan_H/Zoom Zoom	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2026.47497570; Eh
	1-Dec-2017	/Mechanisms/OEp_Insertion/Bimetallic/Scan_Isom/Guess/opt opt	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	-	-3864.40349928; Eh
	11-Apr-2021	/Diels_Alder h9-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-311++G(D,P)	-539.678029242; Eh
	16-Jan-2026	/FG_dataset/amidines/au/111 au-38Z3-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-224.79514060; eV
	8-Jun-2020	/PU1_formation 2,4-TDA_diss+MC2_diss	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-2010.23609204; eV
	2-Aug-2018	MDsnap_trimer1_4920	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2222.53590984; eV
	19-May-2016	AgOx_Ag-clean	García, Rodrigo	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	-	-	-185.05502566; eV

Results 10531-10540 of 104079 (Search time: 0.008 seconds).