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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Aug-2023	VO2-R_(HSE)	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-60.22318193; eV
	1-Mar-2022	I3_TS_mOS_2	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex	Single point	DFT	-	-898.24204789; eV
	1-Mar-2022	28-33-35	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 16 2018 11:12:50) gamma-only	Geometry optimization	DFT	-	-850.49397140; eV
	1-Mar-2022	23-24-36	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 16 2018 11:12:50) gamma-only	Geometry optimization	DFT	-	-850.45150398; eV
	1-Mar-2022	II2_mOS_2	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex	Geometry optimization	DFT	-	-867.29417602; eV
	17-Jul-2025	h_18_cu_ni3p2	Naeem, Muhammad Saad	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-839.25459964; eV
	17-Jul-2025	h_19_cu_ni3p2	Naeem, Muhammad Saad	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-842.94035597; eV
	16-Jan-2026	/FG_dataset/group3N/gas 4bN4	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-85.82663753; eV
	16-Jan-2026	/FG_dataset/group3N/gas 4bN3	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-85.71219543; eV
	16-Jan-2026	/FG_dataset/aromatics/ag/111 ag-4411-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-

Results 89351-89360 of 103542 (Search time: 0.048 seconds).