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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Jul-2025	/IrO2(110)/Amides/Formamide/hollow_M5c-Obr config_3	Van Hout, Thomas	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-892.41404883; eV
	23-Jul-2025	/RuO2(110)/CxHyS/Ethanethiol/top_M5c config_1	Van Hout, Thomas	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-945.61182045; eV
	23-Jul-2025	/IrO2(110)/CxHy/Methane/hollow_M5c-Obr config_1	Van Hout, Thomas	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-878.24789934; eV
	23-Jul-2025	/TiO2(110)/CxHyO/Propan-2-one/top_M5c config_3	Van Hout, Thomas	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-1138.58663128; eV
	23-Jul-2025	/TiO2(110)/CxHy/Prop-1-yne/top_Obr config_1	Van Hout, Thomas	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-1121.59098723; eV
	23-Jul-2025	/TiO2(110)/Amides/Acetamide/top_M5c config_2	Van Hout, Thomas	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-1135.18624910; eV
	23-Jul-2025	/Ti(0001)/Amines/Propan-2-amine config_1	Van Hout, Thomas	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-432.32449850; eV
	23-Jul-2025	/IrO2(110)/CxHyS/Propane-2-thione/hollow_M5c-Obr config_1	Van Hout, Thomas	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-907.08928823; eV
	23-Jul-2025	/IrO2(110)/CxHyO/Propan-2-ol/hollow_M5c-Obr config_2	Van Hout, Thomas	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-919.28123028; eV
	23-Jul-2025	/TiO2(110)/Imines/N-methylmethanimine/top_Obr config_2	Van Hout, Thomas	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-1125.73479779; eV

Results 95841-95850 of 95971 (Search time: 0.055 seconds).