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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Nov-2021	/Adatoms/Bridge Ir-5-5	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1100.37577640; eV
	29-Nov-2021	/Adatoms/Bridge Ru-5-6	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1101.16548002; eV
	29-Nov-2021	/Adatoms/Bridge Pt-4-4	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1098.38187877; eV
	29-Nov-2021	/Adatoms/Bridge Ag-5-5	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1095.66141622; eV
	29-Nov-2021	/Adatoms/Bridge Au-4-4	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1095.93657158; eV
	29-Nov-2021	/Adatoms/Bridge Rh-3-4	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1099.55652974; eV
	15-Feb-2022	/model_system TS-HLoct	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GENECP	-3061.8661686; Eh
	15-Feb-2022	/model_system TS-GHoct	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GENECP	-2638.4855018; Eh
	15-Feb-2022	/model_system Loct	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GENECP	-3061.8837491; Eh
	15-Feb-2022	/model_system Hoct	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GENECP	-2325.0753811; Eh

Results 27151-27160 of 103529 (Search time: 0.016 seconds).