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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Jun-2024	/Intermediates/Ag/110 C4H10N2_6	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-274.25976026; eV
	25-Jun-2024	/Intermediates/Pd/110 C2H4S	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-393.76186215; eV
	10-Jul-2023	i5H20	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D) LANL2DZ GENECP	-6590.6319135; Eh
	10-Jul-2023	i5aenol_ccpVTZ	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	CC-PVTZ GENECP	-1802.73938; Eh
	10-Jul-2023	TS56H2O	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D) LANL2DZ GENECP	-6590.6169319; Eh
	10-Jul-2023	iBAr4F	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D) GENECP	-3646.8592626; Eh
	10-Jul-2023	TSa56enol_ccpVTZ	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	CC-PVTZ GENECP	-1802.7150472; Eh
	10-Jul-2023	TSb56H2O	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	CC-PVTZ GENECP	-1130.6956453; Eh
	10-Jul-2023	cat_3H2O_7H2O	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D) LANL2DZ GENECP	-2943.7605875; Eh
	10-Jul-2023	i4free_ccpVTZ	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	CC-PVTZ GENECP	-901.3594771; Eh

Results 28871-28880 of 104510 (Search time: 0.016 seconds).