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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Sep-2024	/BP86/PMo P01Mo06O22-1H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	6-Sep-2024	/BP86/PMo P02Mo05O23-0H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	6-Sep-2024	/BP86/PMo P01Mo11O39-0H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	6-Sep-2024	/B3LYP/Mo Mo01O04-1H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
	6-Sep-2024	/B3LYP/Mo H2O	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
	1-Feb-2025	/Profiles/CoNi-Ce₃SmO₇/O-coverage/M-CO2-O-coverage M-CO₂-CoNi-Ce₃SmO₇-4O	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	1-Feb-2025	/Profiles/CoNi-Ce₃SmO₇/O-coverage/M-CO2-O-coverage M-CO₂-CoNi-Ce₃SmO₇-2O	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	1-Feb-2025	/Profiles/CoNi-Ce₃SmO₇/O-coverage/M-CO2-O-coverage M-CO₂-CoNi-Ce₃SmO₇-O	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	1-Feb-2025	/Profiles/CoNi-Ce₃SmO₇/O-coverage/TS-O-coverage TS-CoNi-Ce₃SmO₇-5O	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	1-Feb-2025	/Profiles/CoNi-Ce₃SmO₇/O-coverage/CO-O-O-coverage CO-O-CoNi-Ce₃SmO₇-5O	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-

Results 84651-84660 of 104079 (Search time: 0.049 seconds).