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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Sep-2025	GDS05_zindo	Dias da Silva, Gabriela	Gaussian; 09; EM64L-G09RevC.01	Single point Structure	-	-	-
	16-Jan-2026	/FG_dataset/group3N/cd/0001 cd-49N7-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-113.86685935; eV
	16-Jan-2026	/FG_dataset/aromatics/zn/0001 zn-6611-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-137.09303334; eV
	12-Nov-2025	/Tc2OCln-2H2O/Tc2OCl10K4/Tc2OCl10K4_triplet Tc2OCl10K4_triplet	Hosseini, Farzaneh	AMS; 2021.101; r94406	Geometry optimization	PBE	-	-71.283787; eV
	12-Nov-2025	/Tc2OCln-2H2O/Tc2OCl10K4/Tc2OCl10K4_singlet Tc2OCl10K4_singlet	Hosseini, Farzaneh	AMS; 2021.101; r94406	Geometry optimization	PBE	-	-71.619221; eV
	2-Jul-2025	/Bulk_structure/CuWO4_2/surf/slab_111 slab_111	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-40712.88074898; eV
	2-Jul-2025	/Bulk_structure/Cu2O/surf/slab_110 slab_110	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-90.16314299; eV
	2-Jul-2025	/Bulk_structure/Cu2O/surf/slab_011 slab_011	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-90.17861196; eV
	2-Jul-2025	/Bulk_structure/Cu2O/surf/slab_001 slab_001	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-89.84051103; eV
	2-Jul-2025	/Bulk_structure/Cu2O/surf/slab_100 slab_100	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-89.84008377; eV

Results 83861-83870 of 104124 (Search time: 0.051 seconds).