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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Jul-2024	/Single-Points HCl	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	DEF2TZVPP	-460.841374; Eh
	15-Jul-2024	/Single-Points HBr	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	DEF2TZVPP	-2574.7941651; Eh
	25-Jun-2024	/Intermediates/Ir/100 C4H10N2_10	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-488.08339346; eV
	16-Jan-2026	/FG_dataset/amidines/ag/111 ag-4aZm-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-215.06611808; eV
	16-Jan-2026	/FG_dataset/amidines/ag/111 ag-4aZn-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-215.64000249; eV
	19-Mar-2026	/PW P01W09O34-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-14.82963274; Eh
	19-Mar-2026	/PW P01W00O04-3H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-1.70205521; Eh
	19-Mar-2026	/Adsorptions/FF FF-Ag-2S	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-268.91626330; eV
	19-Mar-2026	/Adsorptions/FF FF-Ag-1S	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-263.81617053; eV
	15-Jul-2024	/Single-Points K₂HPO₄	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	DEF2TZVPP	-1843.2191386; Eh

Results 56731-56740 of 104126 (Search time: 0.034 seconds).