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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Oct-2025	re-bpy-3co-COO-2e_M1	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ CC-PVDZ GEN	-1103.47532886; Eh
	23-Oct-2025	re-bpy-3co-COO-2e_M3	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ CC-PVDZ GEN	-1103.45588601; Eh
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_084 disp_084	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.58856733; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_222 disp_222	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.61397255; eV
	26-Aug-2024	geom5_nox2_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1182.0237284; Eh
	26-Aug-2024	geom109_nox_w10_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1087.8398435; Eh
	26-Aug-2024	geom170_nox_w8_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-934.9656902; Eh
	26-Aug-2024	geom29_w4_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-3678.8020108; Eh
	16-Jan-2026	/FG_dataset/group3S/pd/111 pd-4aS2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-320.22085701; eV
	16-Jan-2026	/FG_dataset/group3S/pd/111 pd-4aS3-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-320.20583767; eV

Results 76531-76540 of 104126 (Search time: 0.067 seconds).