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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/pourbaix_diagram/CuWO4/phonopy/disp_006 disp_006	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-20048.23806296; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/CuWO4/phonopy/disp_008 disp_008	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-20048.23696429; eV
	9-Oct-2023	/VO2_dist_222 VO2_dist_1_e	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Frequencies	DFT	-	-822.41107613; eV
	1-Aug-2023	VO2-R(phonon)	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-47.66467940; eV
	1-Mar-2022	28-29-34	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 16 2018 11:12:50) gamma-only	Geometry optimization	DFT	-	-850.28052805; eV
	1-Mar-2022	28-29-33	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 16 2018 11:12:50) gamma-only	Geometry optimization	DFT	-	-850.78485336; eV
	1-Mar-2022	II7_TS_mOS_2	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex	Single point	DFT	-	-867.06489239; eV
	1-Mar-2022	II8_mOS_2	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex	Geometry optimization	DFT	-	-869.59330422; eV
	1-Mar-2022	0-0	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:58) gamma-only	Geometry optimization	DFT	-	-871.97250962; eV
	19-Nov-2025	Int2b	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD LANL2DZ GENECP*	-3899.65123670; Eh

Results 88671-88680 of 103542 (Search time: 0.053 seconds).