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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/Zn/0001 CH	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	18-Jun-2024	/Transition_states/Pd/111 1101-1001	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-
	7-Jun-2024	/Benchmark_adcluster_sites 2-5A-on111-ensemble_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 P01Ta02W10O40-2H-iso-32659200	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-17.36057263; Eh
	19-Mar-2026	/PTaW P01Ta01W10O39-2H-iso-4320	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-17.06493386; Eh
	26-Feb-2024	ch3h2_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-40.8689279205; Eh
	25-Jun-2024	/Intermediates/Ag/110 C3H8N2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-257.54987293; eV
	25-Jun-2024	/Intermediates/Ni/110 C4H8S_2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-441.34967769; eV
	25-Jun-2024	/Intermediates/Ag/110 C4H9N_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	18-Jun-2024	/Transition_states/Pd/111 1211-1111	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-

Results 29901-29910 of 103542 (Search time: 0.019 seconds).