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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Aug-2025	/funcionais/lpno/sp_lpno_geomb3lyp/Cl opt_Cl	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Single point	-	aug-cc-pVTZ; cc-pVTZ/C	-459.57348135; Eh
	15-Sep-2025	/Heptane-cleavage/Heptane-cleavage-stepped-surfaces/Ni Ni-C3-C4-TS	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-1273.32867854; eV
	19-Mar-2026	/SiW Si01W06O22-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-9.55114678; Eh
	19-Mar-2026	/PMo P00Mo02O07-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-2.92781491; Eh
	19-Mar-2026	/PMo P00Mo01O04-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-1.72573354; Eh
	2-Jul-2025	/Bulk_structure/HWO4/phonopy phonopy	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex	Single point	DFT	-	-19.93235062; eV
	2-Jul-2025	/Bulk_structure/H2WO4 H2WO4	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex	Single point	DFT	-	-16.50307857; eV
	2-Jul-2025	/Bulk_structure/HWO4/SCF SCF	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex	Single point	DFT	-	-18.36438358; eV
	2-Jul-2025	/Bulk_structure/HWO4 HWO4	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex	Single point	DFT	-	-18.36438358; eV
	2-Jul-2025	/Bulk_structure/O2 O2	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex	Single point	DFT	-	-7.84759015; eV

Results 82031-82040 of 104124 (Search time: 0.048 seconds).