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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/Pt/110 C4H10N2_5	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-505.67952834; eV
	25-Jun-2024	/Intermediates/Rh/110 H2O_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	25-Jun-2024	/Intermediates/Zn/0001 H_1	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/group2/cu/111 cu-4802-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-237.33021670; eV
	16-Jan-2026	/FG_dataset/amidines/gas 4aZn	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-89.52619563; eV
	7-Jun-2024	/Benchmark_adcluster_sites 2-6A-on100-adcluster_fixed-CO	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	19-Mar-2026	/PTaW P00Ta04W02O21-1H-iso-249	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-9.68543513; Eh
	19-Mar-2026	/PTaW P00Ta01W05O21-1H-iso-600	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-9.36649729; Eh
	19-Mar-2026	/PTaW P01Ta03W02O19-0H-iso-64	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-8.51850040; Eh
	26-Feb-2024	ch3h2o_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-116.175383196; Eh

Results 28671-28680 of 103542 (Search time: 0.015 seconds).