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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Jan-2022	/Periodic_Surface LS_Co-OOH_Surface	Hegner, Franziska Simone	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-708.03724249; eV
	4-Sep-2023	TSE2-3	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RBP86	6-31G SDD GENECP*	-1061.31913024; Eh
	29-Nov-2021	/Profiles/Ag-In2O3 Ag-In₂O₃-i32	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1112.79673697; eV
	29-Nov-2021	/Profiles/Ag-In2O3 Ag-In₂O₃-i25	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1112.99527122; eV
	29-Nov-2021	/Profiles/Au-In2O3 Au-In₂O₃-i09	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1098.10648494; eV
	29-Nov-2021	/Profiles/Ag-In2O3 Ag-In₂O₃-i34	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1113.48071264; eV
	29-Nov-2021	/Profiles/Au-In2O3 Au-In₂O₃-i05	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1090.87437958; eV
	29-Nov-2021	/Profiles/Ag-In2O3 Ag-In₂O₃-i36	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1097.41365360; eV
	7-Jun-2024	/Reactivity sphere75-0-OCHCH2	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	1-Oct-2021	TS_BH_am_pCF3styr	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RB3LYP	TZVP	-985.812196110; Eh

Results 62641-62650 of 104471 (Search time: 0.037 seconds).