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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Aug-2024	geom32_nox_w10_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1087.8483718; Eh
	26-Aug-2024	geom118_w11_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-840.7838935; Eh
	16-Jan-2026	/FG_dataset/amidines/ag/111 ag-4aZ9-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-215.83563325; eV
	16-Jan-2026	/FG_dataset/amidines/ag/111 ag-4aZa-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-215.88191473; eV
	16-Jan-2026	/FG_dataset/group3S/ir/111 ir-26S2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-453.83598446; eV
	16-Jan-2026	/FG_dataset/group3S/ir/111 ir-36S1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-463.73548338; eV
	19-Mar-2026	/W W12O42-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-18.47941202; Eh
	19-Mar-2026	/W W05O16-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-6.78697693; Eh
	16-Jan-2026	/FG_dataset/amidines/ag/111 ag-4aZb-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-215.88526488; eV
	16-Jan-2026	/FG_dataset/group3S/ir/111 ir-36S2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-463.91360666; eV

Results 56301-56310 of 104126 (Search time: 0.033 seconds).