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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Nov-2025	Int1a	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD LANL2DZ GENECP*	-3899.62596595; Eh
	19-Nov-2025	Int2a	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD LANL2DZ GENECP*	-3899.64758740; Eh
	29-Sep-2025	/Optimizations/PBE_D3_U/Pristine co-sno2	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-762.95203108; eV
	8-Apr-2025	/strained100 100_+5_0strain	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/CuWO4/phonopy/disp_009 disp_009	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-20048.23754417; eV
	9-Oct-2023	/VO2_M1_config1_relaxed VO2_M1_config1_scan	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Frequencies	DFT	-	-151.13935995; eV
	1-Aug-2023	VO2-R(DFT-1_2)	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-167.09066897; eV
	1-Mar-2022	II3_TS_mOS_1	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-865.96156529; eV
	1-Mar-2022	28-29-32	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 16 2018 11:12:50) gamma-only	Geometry optimization	DFT	-	-850.09130404; eV
	1-Mar-2022	II5_TS_mOS_1	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-867.03793339; eV

Results 86641-86650 of 103569 (Search time: 0.058 seconds).