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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jan-2026	/FG_dataset/amides/zn/0001 zn-37X4-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-122.78203390; eV
	16-Jan-2026	/FG_dataset/amides/zn/0001 zn-37X3-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-122.38132883; eV
	16-Jan-2026	/FG_dataset/amides/zn/0001 zn-49X1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-139.32434939; eV
	17-Jul-2025	h_25_mn_ni4p3	Naeem, Muhammad Saad	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-802.85361549; eV
	17-Jul-2025	h_27_mn_ni4p3	Naeem, Muhammad Saad	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-808.88295604; eV
	2-Jul-2025	/CuOx_testDD/model_1/HCCO HCCO	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-375.65361233; eV
	2-Jul-2025	/CuOx_testDD/model_1/CH2 CH2	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-361.63552345; eV
	2-Jul-2025	/CuOx_testDD/model_1/CO CO	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-478.84406478; eV
	6-May-2025	tfa_deprotonated	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVDZ GEN	-526.365961919; Eh
	6-May-2025	tea_rad	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	CC-PVDZ GEN	-291.771290474; Eh

Results 90391-90400 of 103529 (Search time: 0.049 seconds).