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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Jun-2018	defect-L-butyl-TS_(ls-L-TS8)	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-only	Frequencies	PBE	-	-4835.51144499; 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
	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	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-T-2H_(T-3)	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-only	Frequencies	PBE	-	-4770.35099670; eV
	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
	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	pristine-H2	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-only	Geometry optimization	PBE	-	-4794.27442968; 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-TS_(T-TS7)	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-only	Frequencies	PBE	-	-4835.26142542; eV

Results 21-30 of 34 (Search time: 0.001 seconds).