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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Oct-2020	/Au_Ch 2b	Armengol i Relats, Helena	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	GENECP	-
	16-Oct-2020	/Au_Ch TSXIIIa-XVa	Armengol i Relats, Helena	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	GENECP	-
	16-Oct-2020	/Au_Ch XVa	Armengol i Relats, Helena	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	GENECP	-
	16-Oct-2020	/Rh/TScis_IV_Va MM3-15-cisRhciclohexadiene_cyclopropanation-DISTAL-TSopt	Armengol i Relats, Helena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2905.18666984; Eh
	16-Oct-2020	/Rh/TS_Va_VII MM3-27-cisdistal_int-to-CHDprod-TSopt_maxstep5	Armengol i Relats, Helena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2905.20402067; Eh
	16-Oct-2020	/Rh/TS_Va_VIa MM3-26-cisdistal_int-to-ciscyclopropane-TSopt	Armengol i Relats, Helena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2905.20487770; Eh
	16-Oct-2020	/Rh/TS_Va_Vb MM3-34-transdistal-to-cisdistal-TSopt_unfrozen	Armengol i Relats, Helena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2905.18831489; Eh
	16-Oct-2020	/Rh/TScis_IV__VIc MM3-6-ciscyclopropanation-CHD-TSopt	Armengol i Relats, Helena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2905.18019178; Eh
	16-Oct-2020	/Rh/Mes mesitylene	Armengol i Relats, Helena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GENECP	-350.235781599; Eh
	16-Oct-2020	/Rh/1a 1a	Armengol i Relats, Helena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GENECP	-697.981886190; Eh

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