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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Nov-2022	/M_N_din6_as_c3_123/Pd_N_din6_as_c3_123 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-623.90090414; eV
	16-Jan-2026	/FG_dataset/group2/ru/0001 ru-4811-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-495.96316841; eV
	19-Mar-2026	/SiTaW Si01Ta01W04O19-2H-iso-96	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-8.41592422; Eh
	10-Jul-2023	H2O_3_ccpVTZ	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	CC-PVTZ GENECP	-229.3441209; Eh
	10-Nov-2022	/M_N_din6_as_c2_35/Zn_N_din6_as_c2_35 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-620.92836054; eV
	10-Nov-2022	/M_N_din6_as_c2_36/Cu_N_din6_as_c2_36 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-622.67882329; eV
	10-Nov-2022	/M_N_din6_as_c2_36/Ni_N_din6_as_c2_36 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-623.20839264; eV
	7-Mar-2024	TS2-3-S	Díaz Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	DEF2SVP	-3037.93627768; Eh
	14-Feb-2023	/P_din6_as_c1_1 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-600.96949133; eV
	14-Feb-2023	/P_din4_x2_c4_d sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-606.16520089; eV

Results 40631-40640 of 103928 (Search time: 0.024 seconds).