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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Feb-2023	/M_P_din6_as_c0/Cd_P_din6_as_c0 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-597.53527274; eV
	17-Feb-2023	/M_P_din6_as_c0/Co_P_din6_as_c0 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-605.09269413; eV
	17-Feb-2023	/M_P_din6_as_c0/Pd_P_din6_as_c0 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-603.40717158; eV
	17-Feb-2023	/M_P_din6_as_c0/Ag_P_din6_as_c0 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-599.35532184; eV
	6-Dec-2023	/Isomer_III_Conformers/Opt Isomer_III_c3	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1123.41729245; Eh
	6-Dec-2023	/Isomer_III_Conformers/Opt Isomer_III_c1	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1123.42002677; Eh
	20-Mar-2024	N_W_W	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	CC-PVTZ	-366.8569949; Eh
	17-Feb-2023	/M_P_din4_x2_c5_b/Cu_P_din4_x2_c5_b rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-619.22588485; eV
	6-Sep-2024	/BP86/V H5O2	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	14-Jun-2024	/Au25_clusters/Au25-charged Au24Ags_00-c_charged	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-

Results 26171-26180 of 100136 (Search time: 0.016 seconds).