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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Apr-2020	mech_bsub_hh	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-207.89431685; eV
	25-Jun-2024	/Intermediates/Ir/100 C2H5NO_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-449.24402621; eV
	18-Jun-2024	/Transition_states/Pt/111 2312-2212	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-
	8-Apr-2020	6e_reduced	Petrus, Enric	ADF; 2019	Single point	OPBE	TZP	-
	8-Apr-2020	Capsule_M2	Petrus, Enric	ADF; 2019	Geometry optimization	OPBE	TZP	-
	9-Jan-2026	/redCO2 Ag(111)-(3x3)-CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-109.12970993; eV
	20-Aug-2019	2Int_trans_bis_2	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-311G* GEN*	-1616.49341888; Eh
	29-Sep-2025	/Single-points/PBE-111kp/Ovac_subsurface cl-o-cao	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Single point	DFT	-	-401.98570525; eV
	24-Apr-2020	mech_bsub_ac	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-225.10569588; eV
	21-Jun-2017	Au-2312	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-185.89197237; eV

Results 35341-35350 of 103542 (Search time: 0.021 seconds).