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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Jul-2023	/M_S_SACs/M_sq_C5S2_s2/Pd_sq_C5S2_s2 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-637.14434682; eV
	30-Jun-2023	Pd-3xN6-Pd-3xN6-7.51_13	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1976.69860646; eV
	30-Jun-2023	Pd-3xN6-Pd-3xN6-4.26_05	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1976.96426216; eV
	30-Jun-2023	Pd-3xN6-Pd-3xN6-3.75_02	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1976.58130898; eV
	30-Jun-2023	Pd-3xN6-Pd-3xN6-6.50_10	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1976.71765362; eV
	19-Mar-2026	/SiTaW Si01Ta01W02O13-1H-iso-1	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-5.79276446; Eh
	25-Jun-2024	/Intermediates/Pt/110 C4H10N2_15	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-505.20612636; eV
	25-Jun-2024	/Intermediates/Au/110 C4H9NO_12	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-304.24170694; eV
	14-Nov-2023	/CO-adsorptions CO-Pt-MnO-conf4-frq	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Frequencies	DFT	-	-3692.34180947; eV
	14-Nov-2023	/CO-adsorptions CO-Pt-MnO-conf4	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-3692.34176620; eV

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