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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/Ru/10m11 H2S	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	1-Jul-2023	Ru-4xN6-Ru-4xN6-5.64_09	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1967.65959432; eV
	24-Apr-2020	Pd111_orth_small-hf	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-119.49010949; eV
	19-Mar-2026	/PTaW P01Ta02W10O40-0H-iso-2	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-17.45604348; Eh
	19-Mar-2026	/PTaW P01Ta01W05O22-0H-iso-96	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-9.51394820; Eh
	22-Sep-2023	Polymer	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-1851.30122802; Eh
	22-Sep-2023	TBD	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-438.822315124; Eh
	26-Feb-2024	c6h4ome_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-346.311563169; Eh
	26-Feb-2024	c5h5n_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-248.355343571; Eh
	25-Jun-2024	/Intermediates/Ag/110 C2H6O_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-231.06412420; eV

Results 28801-28810 of 103542 (Search time: 0.018 seconds).