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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Jun-2018	cluster-PBE-2-sp	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UPBEPBE	SDD; 6-31G*; 6-31+G	-3836.29983166; Eh
	27-Jun-2018	defect-L-2H-ethylene-TS_(L-TS5)	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-only	Frequencies	PBE	-	-4801.56152221; eV
	27-Jun-2018	defect-L-H2-TS_(L-TS2)	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-only	Frequencies	PBE	-	-4768.22524607; eV
	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-T_(T-1)	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-only	Geometry optimization	PBE	-	-4761.84594140; eV
	8-May-2017	Pd-2302	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-270.47780098; eV
	27-Jun-2018	defect-L-2H-ethylene_(L-5)	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only	Frequencies	PBE	-	-4801.82796396; 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
	8-May-2017	Pd-5-06	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-279.59306018; eV
	27-Jun-2018	cluster-M06-L-4	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06L	SDD; 6-31G*; 6-31+G	-3839.63421084; Eh

Results 22301-22310 of 104508 (Search time: 0.014 seconds).