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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2026	/Slabs Ag(111)	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-186.15544218; eV
	15-Jul-2024	/Single-Point_SI_Additional ¹TS_s2	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1905.8200725; Eh
	15-Jul-2024	/Single-Point_SI_Additional ¹TS_s1	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1905.8462481; Eh
	25-Jun-2024	/Intermediates/Ir/100 C9H7N_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-515.06047628; eV
	25-Jun-2024	/Intermediates/Ag/100 C4H10S_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-200.87330859; eV
	25-Jun-2024	/Intermediates/Ag/100 C4H10S	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-200.87354727; eV
	6-Sep-2024	/PBE/AsMo H3O	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-0.47247479; Eh
	25-Jun-2024	/Intermediates/Os/0001 CH4_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	25-Jun-2024	/Intermediates/Cd/0001 CO_2	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	25-Jun-2024	/Intermediates/Ir/100 C8H6S_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-498.81103646; eV

Results 56211-56220 of 104126 (Search time: 0.034 seconds).