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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Jun-2024	/Intermediates/Cu/110 C4H8_3	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-317.40178491; eV
	25-Jun-2024	/Intermediates/Ru/10m11 H3N	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	16-Jan-2026	/FG_dataset/amidines/cd/0001 cd-4aZ7-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-126.20030708; eV
	16-Jan-2026	/FG_dataset/group2/ru/0001 ru-2401-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-456.26608882; eV
	19-Mar-2026	/SiTaW Si01Ta03W09O40-0H-iso-25200	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-17.80872940; Eh
	19-Mar-2026	/PTaW P01Ta02W07O31-3H-iso-3601	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-13.41714934; Eh
	19-Mar-2026	/PTaW P01Ta01W10O39-1H-iso-36288000	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-17.04676969; Eh
	22-Sep-2023	B-e	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-2290.14085392; Eh
	26-Feb-2024	ch3nhc-nh3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-306.059593054; Eh
	26-Feb-2024	ch3nh3-sime3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-505.708749387; Eh

Results 27681-27690 of 103542 (Search time: 0.133 seconds).