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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-Second_Reaction-BSSE 5	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2138.64883122; Eh
	16-Jul-2018	/Ru-iPr-OAc-Second_Reaction-BSSE I4	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2448.24652540; Eh
	16-Jul-2018	/Ru-iPr-OAc-Second_Reaction-BSSE 4	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2139.88688426; Eh
	16-Jul-2018	/Ru-iPr-OAc-Second_Reaction-BSSE I6	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2219.13306862; Eh
	27-Jun-2023	E-F4	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-1819.03895469; Eh
	26-Mar-2018	B3	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	PBE	-	-708.98372881; eV
	26-Mar-2018	acetic-acid	Ortuño, Manuel	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only	Geometry optimization	PBE	-	-46.80120279; eV
	16-Jul-2018	/Ru-iPr-OAc-Second_Reaction-BSSE TS-I6-I7	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2448.23246930; Eh
	16-Jul-2018	/Ru-iPr-OAc-Second_Reaction-BSSE TS-I4-I5	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2448.23971891; Eh
	16-Jul-2018	/Ru-iPr-OAc-Second_Reaction-BSSE I7	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2448.24329919; Eh

Results 121-130 of 103542 (Search time: 0.004 seconds).