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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-May-2024	/Pd/BS2/PCF3_3 OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-4288.6682217; Eh
	9-May-2024	/Pd/BS2/PMe3 TMTS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-1305.2849175; Eh
	9-May-2024	/Pd/BS2/PMe3 A5	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-1052.716147; Eh
	16-Jan-2026	/FG_dataset/amidines/cu/111 cu-4aZ1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-262.44839648; eV
	16-Jan-2026	/FG_dataset/amidines/cu/111 cu-38Za-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-245.11649367; eV
	16-Jan-2026	/FG_dataset/group3S/os/0001 os-26S2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-564.42388370; eV
	16-Jan-2026	/FG_dataset/group3S/os/0001 os-36S1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-574.50160254; eV
	16-Jan-2026	/FG_dataset/group3S/os/0001 os-36S2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-574.60137773; eV
	19-Mar-2026	/Mo Mo09O38-16H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-
	26-Aug-2024	geom0_nox2_w9_nodisp_HLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311G(D,P)	-1335.3181441; Eh

Results 75041-75050 of 104126 (Search time: 0.047 seconds).