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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-T-butyl-TS_(T-TS8)	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-only	Frequencies	PBE	-	-4836.50209869; 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
	27-Jun-2018	defect-L-formyl-1	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-only	Frequencies	PBE	-	-4784.98478478; eV
	27-Jun-2018	1ru-butene	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-only	Frequencies	PBE	-	-4827.09898229; 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	Pd-5-06	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-279.59306018; eV
	8-May-2017	Cu-1-02	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Single point	-	-	-181.00366803; 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-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-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

Results 11961-11970 of 104079 (Search time: 0.009 seconds).