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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-May-2025	TS8-9_dplno	Arranz, Isabel	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVP; AutoAux	-2977.10753003; Eh
	20-May-2025	TS8-9_bmk	Arranz, Isabel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBMK	GENECP	-2988.935394; Eh
	20-May-2025	2	Arranz, Isabel	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G* SDD GENECP*	-361.780529937; Eh
	16-Jan-2026	/FG_dataset/group2/rh/111 rh-1211-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-356.75321281; eV
	2-Dec-2025	/In-models/Slabs-In-incorporation/Subsurface/HfO2 In@m-HfO₂-subsurf-s2	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-466.21261312; eV
	2-Dec-2025	/In-models/Bulks-In-incorporation/ZrO2 c-InZrOₓ	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-900.63073113; eV
	2-Dec-2025	/In-models/Bulks-In-incorporation/HfO2 m-InHfOₓ	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-960.99536992; eV
	2-Dec-2025	/Slabs/2x2-cell m-HfO₂(-111)-2x2-cell	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-1925.59460232; eV
	2-Dec-2025	/Slabs m-ZrO₂(-111)	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-454.16990295; eV
	2-Dec-2025	/Slabs m-HfO₂(-111)	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-481.39431838; eV

Results 90781-90790 of 103529 (Search time: 0.052 seconds).