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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Jul-2023	pristine-3xN6-Ni-4xN6-4.97_06	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1967.43310153; eV
	28-Oct-2022	/N_din6_as_c3_124 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-615.96551839; eV
	28-Oct-2022	/N_din6_as_c3_125 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-615.63790580; eV
	30-Oct-2023	/Opt I_c6	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1123.43335111; Eh
	4-Jul-2023	/Li2O/211/adatom/Li0 Li0	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-585.74188617; eV
	22-Aug-2018	/xps/Co_Cu3 132	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-908.57158762; eV
	22-Aug-2018	/xps/Co_Cu3 134	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-908.51163458; eV
	22-Aug-2018	/xps/Co_Cu3 133	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-908.58386728; eV
	1-Jul-2023	pristine-3xN6-Ni-4xN6-6.77_12	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1966.95823361; eV
	1-Jul-2023	pristine-3xN6-Ni-4xN6-6.77_11	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1967.00126551; eV

Results 30571-30580 of 103542 (Search time: 0.018 seconds).