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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_346/Zn_N_din6_as_c3_346 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-620.28816901; eV
	26-Aug-2024	geom76_nox_w10_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1087.8423931; Eh
	26-Aug-2024	geom38_nox_w8_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-934.9678094; Eh
	26-Aug-2024	geom12_nox_w12_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1240.7360296; Eh
	10-Nov-2022	/M_N_din6_as_c3_253/Rh_N_din6_as_c3_253 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-625.19445687; eV
	10-Nov-2022	/M_N_din6_as_c3_254/Au_N_din6_as_c3_254 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-621.55048477; eV
	10-Nov-2022	/M_N_din6_as_c3_346/Pd_N_din6_as_c3_346 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-624.39224624; eV
	14-Feb-2023	/P_din6_as_c3_236 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-607.78515602; eV
	19-Mar-2026	/SiTaW Si01Ta03W06O31-2H-iso-25212	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-13.85796531; Eh
	10-Jul-2023	c2h2-keto2-5-MB	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1997.23155034; eV

Results 42481-42490 of 103542 (Search time: 0.025 seconds).