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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Jun-2024	/Intermediates/Ni/100 C2H6N2_2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-303.14880422; eV
	6-Sep-2024	/PBE/Ta Ta10O28-2H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-13.24359822; Eh
	25-Jun-2024	/Intermediates/Au/100 C4H9N_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-225.34476365; eV
	18-Jun-2024	/Transition_states/Ru/0001 2522-2422	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Improved Dimer Method	DFT	-	-
	25-Apr-2024	/Ag/100/K_3_H2O/H_ opt	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-234.26107878; eV
	19-Mar-2026	/AsTaW As01Ta04W07O39-3H-iso-25401606	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-17.35836641; Eh
	19-Mar-2026	/References H₂	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-6.76664407; eV
	26-Aug-2024	geom10_nox_w9_nodisp_HLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311G(D,P)	-1011.7779976; Eh
	26-Aug-2024	geom17_aa_A_LLT_631Gd	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RBP86	6-31G(D)	-6869.7980001; Eh
	25-Jun-2024	/Intermediates/Ni/100 C4H9NO_5	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-331.78500941; eV

Results 75261-75270 of 104126 (Search time: 0.124 seconds).