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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Feb-2021	/CO-frequencies Cu(100)-2sqrt2xsqrt2-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-55.88548555; eV
	3-Feb-2021	/CO-frequencies Cu(100)-2x2-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-55.96563662; eV
	4-Feb-2021	/input Au-bulk	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-12.88010560; eV
	16-Jan-2026	/FG_dataset/group2/zn/0001 zn-3601-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-102.84793655; eV
	5-May-2020	6L-red-2-CO-site-22	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-1859.91047477; eV
	24-Jul-2020	H2Mo8O26	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-
	24-Jul-2020	HMo7O24	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-
	18-Feb-2021	/NitroBenzene TS_Py_Addition	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G(D,P)	-670.495284669; Eh
	3-Feb-2021	/CO-frequencies Cu(100)-c5sqrt2xsqrt2-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-139.92965526; eV
	28-May-2022	/CuAg Cu(711)-3x3-OCHCH2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-205.07700281; eV

Results 18181-18190 of 103569 (Search time: 0.013 seconds).