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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Jun-2023	Ni-3xN6-pristine-4xN6-3.55_01	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1964.31791290; eV
	30-Jun-2023	Ni-3xN6-pristine-4xN6-6.31_10	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1963.68189773; eV
	30-Jun-2023	Ni-3xN6-pristine-4xN6-6.06_09	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1963.57472986; eV
	30-Jun-2023	Ni-3xN6-pristine-4xN6-4.31_03	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1963.23797165; eV
	24-Jan-2023	Mo2O2S2-L3_trans_1H_NMR_conf1	Buils, Jordi	AMS; 2021.101; r94406	Single point NMR	BP86	TZP	-393.420732; eV
	24-Jan-2023	Mo2O2S2-L4_cis_complex	Buils, Jordi	AMS; 2021.101; r94406	Geometry optimization	BP86	-	-394.067763; eV
	28-Oct-2022	/N_din4_x2_c3_a rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-613.96945465; eV
	28-Oct-2022	/N_din4_x2_c4_b rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-614.67264627; eV
	20-Jan-2023	/Geometries_and_energies/Co/0001 CO_fcc	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-256.82535460; eV
	28-Oct-2022	/N_din4_x2_c3_d dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-617.21332671; eV

Results 39531-39540 of 103928 (Search time: 0.019 seconds).