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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 Co-2-3	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1100.62574406; eV
	29-Nov-2021	/Adatoms/Bridge Ni-5-5	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1098.24975393; eV
	29-Nov-2021	/Adatoms/Bridge Ni-2-4	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1098.97458125; eV
	29-Nov-2021	/Adatoms/Bridge Ir-4-4	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1100.61017539; eV
	29-Nov-2021	/Adatoms/Bridge Ni-4-4	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1098.58594132; eV
	29-Nov-2021	/Adatoms/Bridge Ru-5-5	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1100.83084166; eV
	29-Nov-2021	/Adatoms/Bridge Pt-5-5	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1097.92460650; eV
	26-Feb-2024	ts-ch3oTf-rhcomplex_ch2cl2_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G SDD GENECP*	-2215.29678044; Eh
	15-Feb-2022	/model_system TS-LFoct	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GENECP	-3061.8760384; Eh
	15-Feb-2022	/model_system TS-JKoct	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GENECP	-2828.1130454; Eh

Results 28971-28980 of 103542 (Search time: 0.017 seconds).