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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-Mar-2026	IIi_opt	Schmoltzi, Lisa; Kästner, Johannes	TURBOMOLE; 7.7.1	Single point Minimum	U-DFT	def2-mSVP	-5360.437360132; Eh
	5-Mar-2026	IIs_opt	Schmoltzi, Lisa; Kästner, Johannes	TURBOMOLE; 7.7.1	Single point Minimum	U-DFT	def2-mSVP	-4862.286827555; Eh
	5-Mar-2026	I_opt	Schmoltzi, Lisa; Kästner, Johannes	TURBOMOLE; 7.7.1	Single point TS	U-DFT	def2-mSVP	-4862.305063073; Eh
	5-Mar-2026	V_sp	Schmoltzi, Lisa; Kästner, Johannes	TURBOMOLE; 7.7.1	Single point	U-DFT	def2-TZVP	-5369.017909707; Eh
	5-Mar-2026	Pt(111)-NH4OH adsorbed slab	BHATTACHARYA, LABANYA; Nesterenko, Artiom	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 22 2021 11:40:46) complex	Geometry optimization	DFT	-	-470.38162808; eV
	5-Mar-2026	Pt(112 ̅)-OH adsorbed slab	BHATTACHARYA, LABANYA; Nesterenko, Artiom	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 22 2021 11:40:46) complex	Geometry optimization	DFT	-	-557.63080130; eV
	5-Mar-2026	Pt(112 ̅)-clean slab	BHATTACHARYA, LABANYA; Nesterenko, Artiom	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 22 2021 11:40:46) complex	Geometry optimization	DFT	-	-496.17742955; eV
	5-Mar-2026	Pt(111)-clean slab	BHATTACHARYA, LABANYA; Nesterenko, Artiom	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 22 2021 11:40:46) complex	Geometry optimization	DFT	-	-331.32646746; eV
	5-Mar-2026	Pt(110)	BHATTACHARYA, LABANYA; Nesterenko, Artiom	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 02 2024 12:47:18) complex	Geometry optimization	DFT	-	-361.02894232; eV
	27-Feb-2026	Int1ent	Kiriakidi, Sofia	Orca; 6.0.1; RELEASE	Geometry optimization	DFT	CPCM(acetonitrile)	-5375.59196313526627; Eh

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