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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-May-2022	/CuAg Cu(711)-3x3-CO-CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-200.61297807; eV
	24-Jul-2020	Mo1O4_2H_BP	Petrus, Enric	ADF; 2019	Geometry optimization	BP86	TZP	-1.67640385; Eh
	24-Jul-2020	Mo5O17_0H_BP	Petrus, Enric	ADF; 2019	Geometry optimization	BP86	TZP	-6.94776985; Eh
	24-Jul-2020	HMo4O13	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-
	18-Feb-2021	/IsoQuinoline Py_Add_Prod	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-670.507426547; Eh
	18-Feb-2021	/IsoQuinoline tBuOH	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-233.680182549; Eh
	28-May-2022	/CuAg Cu(711)-3x3-CH3CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-204.71183138; eV
	28-May-2022	/CuAg Ag(711)-3x3-O	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-129.26978253; eV
	30-Sep-2021	/DCM/adducts_DCM/add_ch3oh ch3oh-och2ch3_6311+Gd_ch2cl2sp	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D)	-270.330403108; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3i ch3i-cn_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-

Results 18081-18090 of 103529 (Search time: 0.013 seconds).