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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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	i6H20	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D) LANL2DZ GENECP	-6590.6602469; Eh
	10-Jul-2023	cat_7H2O	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D) LANL2DZ GENECP	-2714.5325637; Eh
	10-Jul-2023	cat_7enol	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D) LANL2DZ GENECP	-2714.5325654; Eh
	10-Jul-2023	i5bH2O_ccpVTZ	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	CC-PVTZ GENECP	-1130.7209438; 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	i4free_ccpVTZ	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	CC-PVTZ GENECP	-901.3594771; 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	i4BAr4F_ccpVTZ	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D) LANL2DZ GENECP	-6361.49591734; Eh
	10-Jul-2023	i4a_ccpVTZ	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	CC-PVTZ GENECP	-4159.7701133; Eh

Results 8651-8660 of 12869 (Search time: 0.007 seconds).