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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Oct-2017	/1V/V_OH_BP V_OH_BP	González Fabra, Joan	ADF; 2016	Geometry optimization Minimum	DFT	TZ2P	-
	18-Oct-2017	/1V/Alkoxide Alkoxide	González Fabra, Joan	ADF; 2016	Geometry optimization Minimum	DFT	TZ2P	-
	30-Nov-2022	/Oxygen-vacancies/x-ZnZrOx-slab/c-ZnZrOx-1vac/Zn-surf-c-ZnZrOx-1vac m1-c-ZnZrOx-vac-ss-6	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-431.15419375; eV
	29-Aug-2017	/Solvated_Calculations G_diss_charge_-3	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:47:22) gamma-only	N/A	-	-	-554.40809441; eV
	29-Aug-2017	/Solvated_Calculations M_diss_charge_0	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:47:22) gamma-only	N/A	-	-	-548.32066683; eV
	8-Sep-2017	Ni100-2	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	-	-	-311.61727097; eV
	9-Aug-2017	Cu-1-08-O	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-181.09876491; eV
	28-Nov-2017	ss-RhCd-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-282.94088433; eV
	28-Nov-2017	ss-RhCu-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-321.87081603; eV
	28-Nov-2017	ss-RhCo-0000	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex	Geometry optimization	-	-	-330.88234027; eV

Results 5721-5730 of 103083 (Search time: 0.006 seconds).