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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2026	/AsMoW As02Mo02W03O23-0H-iso-90	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-9.40061421; Eh
	3-Mar-2025	/Ag/111/no_cation/GC_DFT/CO2 atop_K	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-117.17039954; eV
	3-Mar-2025	/Ag/111/no_cation/GC_DFT/COOH atop	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-120.01292345; eV
	3-Mar-2025	/Ag/111/no_cation/GC_DFT/CO atop	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-109.15034944; eV
	27-Aug-2025	/opt/Sulfox const_Se_Sulfox_cys	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization	DFT	6-311+g(d)	-3202.02452432; Eh
	27-Aug-2025	/opt/Sulfox sp_Se_sulfox_cys	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Single point	DFT	6-311+g(d)	-3202.43144669; Eh
	19-Mar-2026	/PMo P02Mo05O23-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-9.53603174; Eh
	19-Mar-2026	/PMo P01Mo12O40-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-16.28846235; Eh
	19-Mar-2026	/PMo P00Mo03O09-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-3.42095384; Eh
	19-Mar-2026	/PMo P01Mo11O39-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-16.19389642; Eh

Results 84591-84600 of 104079 (Search time: 0.05 seconds).