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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2026	/Mo Mo05O16-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-
	26-Aug-2024	ACN_opt	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G	-132.725481481; Eh
	6-Sep-2024	/M06L/V H5O2	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	18-Jun-2024	/Transition_states/Au/111 2511-2412	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	31-May-2024	/Surfaces Pd₁-mpg-C₃N₄	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1904.62887544; eV
	31-May-2024	/Surfaces mpg-C₃N₄	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1900.39522285; eV
	31-May-2024	/Surfaces Pd₂-mpg-C₃N₄	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	10-Sep-2024	Pt_NH3_2_1S_h-cl-scaff	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2017.65240833; eV
	19-Mar-2026	/AsMoW As01Mo04W07O39-3H-iso-230400	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.47514094; Eh
	19-Mar-2026	/AsMoW As01Mo03W06O34-0H-iso-25212	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-14.40563647; Eh

Results 78661-78670 of 104126 (Search time: 0.046 seconds).