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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 As01Mo03W09O40-0H-iso-433	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.73085734; Eh
	6-Sep-2024	/M06L/W W03O10-0H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	20-Jan-2025	Me2phen_Cu_H2O_2	Pisanu, Federico	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G(D,P) SDD GEN	-1000.33469887; Eh
	8-Jan-2025	/Heptane-cleavage/RuNi-b RuNi-b-C1-C6-TS	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-1532.89233307; eV
	8-Jan-2025	/Heptane-cleavage/RuNi-b RuNi-b-C3-C4-TS	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-1532.73443985; eV
	16-Jan-2026	/FG_dataset/group3N/cu/111 cu-49N6-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-249.60984746; eV
	16-Jan-2026	/FG_dataset/aromatics/cu/111 cu-66S1-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-252.15911990; eV
	8-Jan-2025	/Heptane-cleavage/RuNi-b RuNi-b-C1-C6	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	8-Jan-2025	/Heptane-cleavage/RuNi-b RuNi-b-C3-C4	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	8-Jan-2025	/Heptane-cleavage/RuNi-b RuNi-b-C7	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-

Results 78551-78560 of 104126 (Search time: 0.049 seconds).