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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-May-2017	Ru-34319	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-380.36725055; eV
	8-May-2017	gas-2621	García Muelas, Rodrigo	vasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complex	Geometry optimization	-	-	-53.41787007; eV
	8-May-2017	Ru-4-31	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Single point	-	-	-352.88107462; eV
	16-Jul-2018	/Ru-iPr-Cl-Second_Reaction-BSSE TS-I2-I8	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2679.95223683; Eh
	16-Jul-2018	/Ru-iPr-Cl-First_Reaction-BSSE TS-1-I1	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2371.56869754; Eh
	2-Aug-2018	MDsnap_trimer3_2740	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2225.04485314; eV
	26-Mar-2018	C-6x6	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	PBE	-	-724.69156366; eV
	26-Mar-2018	C1	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build May 25 2015 11:37:25) complex	N/A	N/A	-	-981.56532956; eV
	8-May-2017	Pt-5-37	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-314.09232995; eV
	8-May-2017	Ru-35105	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-370.12478178; eV

Results 9661-9670 of 103542 (Search time: 0.007 seconds).