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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Jun-2024	/Transition_states/Os/0001 2302-2202	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	16-Jan-2026	/FG_dataset/group2/cu/111 cu-4601-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-228.52604325; eV
	6-Feb-2025	/Ru(tda)_edp2/building_blocks/graphene_for_dimer graphene	Nicaso, Marco	AMS; 2021.101; r94406	Geometry optimization	BP86	DZP	-1513.411348; eV
	16-Feb-2023	/M_S_din6_as_c3_123/Au_S_din6_as_c3_123 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-605.11059698; eV
	16-Feb-2023	/M_S_din6_as_c3_123/Au_S_din6_as_c3_123 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-605.66202883; eV
	16-Feb-2023	/M_S_din6_as_c3_123/Ag_S_din6_as_c3_123 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-605.47495179; eV
	7-Jun-2024	/Benchmark_adcluster_sites 3-5A-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	-	-
	26-Aug-2024	geom130_nox_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-858.5258143; Eh
	26-Aug-2024	geom78_nox_w8_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-934.9682485; Eh
	26-Aug-2024	geom3_aa_A	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RBP86	6-31G	-6868.1323699; Eh

Results 28051-28060 of 103542 (Search time: 0.016 seconds).