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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Jun-2024	/Intermediates/Cu/110 C4H10	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-325.38030234; eV
	25-Jun-2024	/Intermediates/Ni/110 C2H4O	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-409.49654881; eV
	25-Jun-2024	/Intermediates/Ru/10m10 HS_4	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	25-Jun-2024	/Intermediates/Ru/10m10 HS_3	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/Os/0001 2011-2001+0011	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	30-Nov-2022	/Lattice-incorporations/Subsurface m-ZnZrOx-subsurf_s6	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-436.58880183; eV
	7-Nov-2023	graphene_in_methanol	Nicaso, Marco	AMS; 2021.101; r94406	Single point	BP86	DZP	-1649.672743; eV
	7-Nov-2023	graphene_gas_phase	Nicaso, Marco	AMS; 2021.101; r94406	Single point	BP86	DZP	-1647.307044; eV
	30-Jun-2023	Pt-3xN6-pristine-3xN6-7.10_11	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1972.56439462; eV
	30-Jun-2023	Pt-3xN6-pristine-3xN6-7.51_13	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1972.63720825; eV

Results 42901-42910 of 103542 (Search time: 0.023 seconds).