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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Nov-2018	/water/complexes aq-fenilomehgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-522.8336316; Eh
	27-Jun-2018	defect-L-butyl-TS_(L-TS8)	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-only	Frequencies	PBE	-	-4835.01143969; eV
	27-Jun-2018	defect-T-butyl_(T-8)	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-only	Frequencies	PBE	-	-4836.51554727; eV
	27-Jun-2018	cluster-M06-L-6	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06L	SDD; 6-31G*; 6-31+G	-3839.58221330; Eh
	27-Jun-2018	defect-L-ethyl-ethylene-TS_(L-TS7)	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-only	Frequencies	PBE	-	-4833.82446086; eV
	8-May-2017	Pt-9-10	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-302.10361324; eV
	27-Jun-2018	defect-L-formyl-2	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-only	Frequencies	PBE	-	-4785.22654678; eV
	23-Jul-2018	/1butyne/Ni/111/9H C4H6toC4H7T	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complex	Frequencies	DFT	-	-338.39463699; eV
	8-May-2017	Pd-8-04	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Improved Dimer Method	-	-	-267.28866413; eV
	27-Jun-2018	cluster-M06-L-2-sp	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM06L	SDD; 6-31G*; 6-31+G	-3839.63400051; Eh

Results 22271-22280 of 104508 (Search time: 0.013 seconds).