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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Nov-2021	/Profiles/Co-In2O3 Co-In₂O₃-i12	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1092.18176021; eV
	29-Nov-2021	/Profiles/Co-In2O3 Co-In₂O₃-i09	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1099.33251252; eV
	29-Nov-2021	/Profiles/Rh-In2O3 Rh-In₂O₃-i21	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1109.40253680; eV
	29-Nov-2021	/Profiles/Pt-In2O3 Pt-In₂O₃-i35	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1116.78339699; eV
	29-Nov-2021	/Profiles/Rh-In2O3 Rh-In₂O₃-i09	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1100.53596147; eV
	29-Nov-2021	/Profiles/Pt-In2O3 Pt-In₂O₃-i33	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1116.55391844; eV
	15-Jul-2024	/Geom_Opt_SI_Additional ²TS_s5	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	UB3LYP	6-31G SDD GENECP*	-1905.17704003; Eh
	26-Aug-2024	geom31_aa_A_LLT_631Gd	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RBP86	6-31G(D)	-6869.7955934; Eh
	25-Jun-2024	/Intermediates/Ag/100 C4H9NO2_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-215.32430570; eV
	6-Sep-2024	/PBE/AsMo As00Mo02O08-1H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-3.47338571; Eh

Results 71091-71100 of 104445 (Search time: 0.046 seconds).