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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-OAc-First_Reaction-BSSE TS-3-I3	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2139.81446564; Eh
	16-Jul-2018	/Ru-iPr-OAc-First_Reaction-BSSE I3	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2139.82086917; Eh
	16-Jul-2018	/Ru-iPr-OAc-First_Reaction-BSSE 3	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-1831.46329430; Eh
	16-Jul-2018	/Ru-iPr-OAc-First_Reaction-BSSE 4	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2139.88688426; Eh
	18-Jul-2018	N2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g*	-109.452344644; Eh
	26-Mar-2018	TS-A1	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complex	Frequencies	PBE	-	-631.68001485; eV
	26-Mar-2018	alkene-internal	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only	Geometry optimization	PBE	-	-65.48164895; eV
	26-Mar-2018	TS-A2	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complex	Frequencies	PBE	-	-631.79351574; eV
	16-Jul-2018	/Ru-iPr-OAc-First_Reaction-BSSE TS-I3-4	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2139.81426225; Eh
	16-Jul-2018	/Ru-iPr-OAc-Second_Reaction-BSSE I5	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2448.25681017; Eh

Results 111-120 of 103542 (Search time: 0.003 seconds).