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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2026	/AsMoW As01Mo05W06O39-1H-iso-21793011	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.41658265; Eh
	19-Mar-2026	/AsMoW As01Mo05W04O31-3H-iso-1440	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-12.55336499; Eh
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_053 disp_053	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.60990982; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_173 disp_173	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.61188044; eV
	26-Aug-2024	pyrrole_phenyl_imine_nox_HLT_b3lyp_gd3bj_6311Gdp	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311G(D,P)	-2772.8560314; Eh
	26-Aug-2024	pyrrole_phenyl_imine_nox_HLT_b3lyp_6311Gdp	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311G(D,P)	-2772.4678742; Eh
	26-Aug-2024	pyrrole_phenyl_imine_nox_HLT_6311Gdp_m062x	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM062X	6-311G(D,P)	-2771.4452166; Eh
	26-Aug-2024	pyrrole_phenyl_imine_phenyl_ACN_HLT_nodisp	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311G(D,P)	-3506.1715297; Eh
	26-Aug-2024	pyrrole_phenyl_imine_nox_HLT_m062x_ccpvtz	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM062X	CC-PVTZ	-2771.7187125; Eh
	26-Aug-2024	pyrrole_phenyl_imine_phenyl_ACN_HLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311G(D,P)	-3506.6705162; Eh

Results 78991-79000 of 104126 (Search time: 0.046 seconds).