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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Jul-2025	h_2_fe_ni3p2	Naeem, Muhammad Saad	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-791.03383348; eV
	16-Jan-2026	/FG_dataset/carbamate_esters/os/0001 os-49_3-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-611.83387641; eV
	16-Jan-2026	/FG_dataset/carbamate_esters/os/0001 os-49_4-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-611.71058320; eV
	6-May-2025	co2_acetonitrile	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVDZ GEN	-188.602213614; Eh
	16-Jan-2026	/FG_dataset/oximes/zn/0001 zn-49Y6-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-137.73698980; eV
	19-Mar-2026	/SiW Si01W00O04-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-1.85827362; Eh
	2-Jul-2025	/CuOx_testDD/model_2/CO CO	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-555.33396796; eV
	2-Jul-2025	/CuOx_testDD/model_2 model_2	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-578.79905879; eV
	2-Jul-2025	/Cu111_test_recon/WO3 WO3	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1255.46948271; eV
	2-Jul-2025	/CuOx_testDD CuOx_testDD	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-

Results 91081-91090 of 103529 (Search time: 0.106 seconds).