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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2026	/Energy-profiles/FF-to-HF/FF-to-dl-HF-Ag-2S FA-Ag-2S(111)	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-349.50870866; eV
	25-Jun-2024	/Intermediates/Au/100 C5H6	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-213.86623631; eV
	18-Jun-2024	/Transition_states/Rh/111 2321-2222	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-
	25-Apr-2024	/Ag/110/K_3_H2O/H_ sol_vs37_on	Seemakurthi, Ranga Rohit	vasp; 5.3.5; 31Mar14 (build Jun 18 2014 16:11:06) complex	Geometry optimization	DFT	-	-234.68726553; eV
	25-Apr-2024	/Ag/110/K_3_H2O/COOH freq	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-257.12261842; eV
	23-Oct-2025	re-bpy-3co-1vac-2e_M1-OSS	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ CC-PVDZ GEN	-914.870384513; Eh
	19-Mar-2026	/V V10O28-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-12.18217163; Eh
	19-Mar-2026	/V V10O28-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-12.19324769; Eh
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_178 disp_178	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.60712011; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_147 disp_147	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.61105559; eV

Results 75921-75930 of 104126 (Search time: 0.047 seconds).