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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jul-2018	/Ru-iPr-Cl-Second_Reaction-BSSE 2	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2371.62558163; Eh
	2-Aug-2018	MDsnap_trimer3_2700	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2224.71542705; eV
	2-Aug-2018	MDsnap_trimer3_2440	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2223.53145882; eV
	22-Aug-2018	/ads_sn2_Co_Cu3 ch3oh	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-653.70856852; eV
	26-Mar-2018	C1a	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build May 25 2015 11:37:25) complex	N/A	N/A	-	-981.33000607; eV
	26-Mar-2018	C1b	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build May 25 2015 11:37:25) complex	N/A	N/A	-	-981.36401850; eV
	8-May-2017	Ru-5-29	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-348.60941825; eV
	8-May-2017	Pt-5-26	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-314.50069833; eV
	8-May-2017	Ru-35106	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-369.05991668; eV
	16-Jul-2018	/Ru-iPr-Cl-Second_Reaction-BSSE I8	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2679.96982130; Eh

Results 9671-9680 of 103542 (Search time: 0.007 seconds).