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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Oct-2022	/N_din4_x2_c2_d dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-615.79181217; eV
	1-Jul-2023	pristine-3xN6-pristine-3xN6-8.63_15	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1968.92410429; eV
	30-Jun-2023	Ni-3xN6-pristine-4xN6-6.77_12	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1963.66638833; eV
	25-Jun-2024	/Intermediates/Au/110 C4H4S	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-275.41582107; eV
	29-Jan-2024	Mo_Int2	Garay Ruiz, Diego	ADF; 2016	Single point	PBE	TZ2P	-
	28-Oct-2022	/N_din4_x2_c1_b rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-613.78833051; eV
	28-Oct-2022	/N_din4_x2_c1_b dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-613.99974444; eV
	20-Jan-2023	/Geometries_and_energies/Co/0001 CO_hcp	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-256.81261629; eV
	28-Oct-2022	/N_din4_x2_c0 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-614.72442627; eV
	20-Jan-2023	/Geometries_and_energies/Co/0001 clean	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-236.43853341; eV

Results 39541-39550 of 103928 (Search time: 0.023 seconds).