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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2026	/AsTaW As01Ta01W08O31-2H-iso-600	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-12.58177745; Eh
	19-Mar-2026	/AsTaW As01Ta06W03O34-0H-iso-864	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-15.05808253; Eh
	19-Mar-2026	/AsTaW As01Ta02W10O40-0H-iso-2	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-17.28307131; Eh
	25-Jun-2024	/Intermediates/Pt/110 C2H5NO2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-473.49476156; eV
	25-Jun-2024	/Intermediates/Ir/110 C3H7NO_3	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-667.61769955; eV
	25-Jun-2024	/Intermediates/Ag/110 C9H7N_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-299.51933629; eV
	25-Jun-2024	/Intermediates/Ag/110 C10H8	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-304.21450945; eV
	25-Jun-2024	/Intermediates/Ag/110 C8H6O	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-284.20751411; eV
	25-Jun-2024	/Intermediates/Pd/110 C4H8O	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-428.39082456; eV
	25-Jun-2024	/Intermediates/Cu/111 C2H3O_5	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-

Results 84121-84130 of 104124 (Search time: 0.049 seconds).