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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Mar-2023	Int-II	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G(D,P) SDD GEN	-1901.31372299; Eh
	7-Mar-2023	TS_II-III	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	UB3LYP	6-31G(D,P) SDD GEN	-1901.27557418; Eh
	14-Jun-2024	/Au25_clusters/Au25_react Au25_SH-SH_CO2	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Single point	DFT	-	-508.19209124; eV
	14-Jun-2024	/Au25_clusters/Au25_react Au25_SH-SH_COOH	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-
	19-Mar-2026	/VMo V01Mo09O31-3H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-12.60970802; Eh
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_133 disp_133	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.61405491; eV
	7-Mar-2023	/110/surf_vac/pris/adsorbates on_ce-no-fill_vac-horizontal-3	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-580.32289594; eV
	7-Mar-2023	/110/surf_vac/neighboring/mos2 adsorbates-on_mn-no-n	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-591.26496671; eV
	7-Mar-2023	/110/surf_vac/neighboring/mos2 adsorbates-on_vac-no-o	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-589.23979113; eV
	7-Mar-2023	/ini-data-source/Cu/bulk-MD 300K_bcc_444	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Ab-Initio Molecular Dynamics	DFT	-	-480.86665723; eV

Results 47051-47060 of 104079 (Search time: 0.028 seconds).