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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	i4BAr4F_1	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D) LANL2DZ GENECP	-6361.4006804; Eh
	10-Jul-2023	i4BAr4	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D) LANL2DZ GENECP	-6361.3869157; Eh
	10-Jul-2023	i4_2_ccpVTZ	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	CC-PVTZ GENECP	-4159.7812258; Eh
	10-Jul-2023	TSb56_ccpVTZ	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	CC-PVTZ GENECP	-8319.5044678; Eh
	10-Jul-2023	i5_ccpVTZ	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	CC-PVTZ GENECP	-8319.5751364; Eh
	10-Nov-2022	/M_N_din6_as_c3_216/Cu_N_din6_as_c3_216 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-621.97211304; eV
	10-Nov-2022	/M_N_din6_as_c3_165/Pt_N_din6_as_c3_165 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-626.05822493; eV
	14-Feb-2023	/P_din6_as_c3_165 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-606.89669401; eV
	10-Nov-2022	/M_N_din6_as_c3_235/Cd_N_din6_as_c3_235 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-619.58402665; eV
	10-Nov-2022	/M_N_din6_as_c3_235/Fe_N_din6_as_c3_235 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-626.77498873; eV

Results 28161-28170 of 104510 (Search time: 0.019 seconds).