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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-M06-L-2	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06L	SDD; 6-31G*; 6-31+G	-3839.62044252; Eh
	8-May-2017	Pd-8-05	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Improved Dimer Method	-	-	-267.37257749; 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
	27-Jun-2018	defect-L-CO-1	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-only	Frequencies	PBE	-	-4785.40413722; 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
	1-Dec-2017	CHCH2-Pd3S(202)	Shahrokhi, Masoud	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-271.13655746; eV
	27-Jun-2018	defect-L-2H_(L-3)	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-only	Frequencies	PBE	-	-4768.92930850; eV
	2-Aug-2018	MDsnap_trimer1_2360	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2222.47234873; eV
	27-Jun-2018	defect-L-2H-H2_(L-4)	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-only	Frequencies	PBE	-	-4775.89536069; eV
	27-Jun-2018	pristine-HSE	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complex	Single point	PBE	-	-5210.28645131; eV

Results 22321-22330 of 104508 (Search time: 0.015 seconds).