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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-May-2017	Pd-9-05	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-271.38738309; eV
	27-Jun-2018	defect-L-ethyl-ethylene_(L-7)	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-only	Frequencies	PBE	-	-4834.72862489; eV
	12-Feb-2019	sa-ZnFe-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-67.55390417; eV
	8-May-2017	Cu-5-23	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-165.84776730; eV
	27-Jun-2018	defect-L_(L-1)	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-only	Geometry optimization	PBE	-	-4761.32434732; eV
	27-Jun-2018	defect-L-H2_(L-2)	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only	Frequencies	PBE	-	-4768.57459471; eV
	27-Jun-2018	1ru-hydride	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-only	Frequencies	PBE	-	-4760.10708060; eV
	27-Jun-2018	defect-T-ethyl-ethylene_(T-7)	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-only	Frequencies	PBE	-	-4836.18886259; eV
	27-Jun-2018	cluster-B3LYP-2	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	SDD; 6-31G*; 6-31+G	-3839.91208792; Eh
	27-Jun-2018	defect-L-butyl_(ls-L-8)	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-only	Frequencies	PBE	-	-4835.51192429; eV

Results 22311-22320 of 104508 (Search time: 0.015 seconds).