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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Jul-2025	/Bulk_structure/H2O/phonopy/disp_018 disp_018	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-14.42947838; eV
	2-Jul-2025	/Bulk_structure/H2O/phonopy/disp_017 disp_017	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-14.42954383; eV
	2-Jul-2025	/Bulk_structure/H2O/phonopy/disp_016 disp_016	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-14.42935178; eV
	16-Jan-2026	/FG_dataset/aromatics/rh/111 rh-44S1-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-390.11199190; eV
	19-Mar-2026	/AsMoW As01Mo04W05O34-2H-iso-230418	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-14.41864078; Eh
	26-Aug-2025	/funcionais/m06/OH opt_OH	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization Minimum	DFT	6-311+g(d)	-75.77360017; Eh
	2-Jul-2025	/Bulk_structure/H2O/phonopy/disp_005 disp_005	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-14.42923742; eV
	2-Jul-2025	/Bulk_structure/H2O/phonopy/disp_004 disp_004	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-14.42745840; eV
	2-Jul-2025	/Bulk_structure/H2O/phonopy/disp_003 disp_003	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-14.42700922; eV
	2-Jul-2025	/Bulk_structure/H2O/phonopy/disp_014 disp_014	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-14.42751331; eV

Results 82651-82660 of 104124 (Search time: 0.052 seconds).