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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Sep-2024	/M06L/PMo P01Mo11O39-2H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	6-Sep-2024	/M06L/W W02O07-0H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	26-Aug-2024	nox_HLT_631Gd	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RBP86	CC-PVTZ	-323.596006; Eh
	16-Jan-2026	/FG_dataset/group3N/au/111 au-4bN2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-237.25385518; eV
	16-Jan-2026	/FG_dataset/group3N/au/111 au-4bN1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-237.18300303; eV
	16-Jan-2026	/FG_dataset/group3N/au/111 au-4bN3-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-237.25623836; eV
	16-Jan-2026	/FG_dataset/aromatics/pt/111 pt-8a01-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-394.23378877; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_022 disp_022	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.61230852; eV
	19-Nov-2024	/Ag/cluster_calcs/K_SS_IP/5_H2O 5_9000	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-72.93118912; eV
	19-Nov-2024	/Ag/cluster_calcs/K_SS_IP/6_H2O 6_5300	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-87.65211137; eV

Results 77321-77330 of 104126 (Search time: 0.046 seconds).