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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Jul-2023	/M_S_SACs/M_tr_C4S1/Cd_tr_C4S1 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-623.94337835; eV
	18-Jun-2024	/Transition_states/Au/111 2512-2414	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	18-Jun-2024	/Transition_states/Au/111 2513-2412	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	18-Jun-2024	/Transition_states/Au/111 2212-2112	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	18-Jun-2024	/Transition_states/Au/111 2221-2121	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	1-Jun-2024	/Layer/In₂O₃ In₂O₃-1l-23vac	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	1-Jun-2024	/Layer/CeO₂ CeO₂-1l-13vac	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	23-Jul-2025	/TiO2(110)/CxHyS/Methanethiol/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	-	-1110.27103831; eV
	19-Mar-2026	/AsMoW As01Mo05W06O39-1H-iso-21793410	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.42080204; Eh
	19-Mar-2026	/AsMoW As01Mo04W01O19-1H-iso-24	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-7.69418991; Eh

Results 81061-81070 of 104124 (Search time: 0.055 seconds).