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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Oct-2020	/Rh/VII MM3-33-cisdistal-to-CHDprod-MORE	Armengol i Relats, Helena	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	GENECP	-
	16-Oct-2020	/Rh/TStrans_IV__VId MM3-16-transcyclopropanation-CHD-PROXIMAL-TSopt	Armengol i Relats, Helena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2905.18069784; Eh
	16-Oct-2020	/Rh/TS_Vb_VIb MM3-29-transdistal_int-to-transcyclopropane-TSopt	Armengol i Relats, Helena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2905.21188828; Eh
	16-Oct-2020	/Rh/TS_IV_Vb MM3-10-transcyclopropanation-CHD-TSopt	Armengol i Relats, Helena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2905.18381971; Eh
	16-Oct-2020	/Rh/Vb MM3-11-transcyclopropanation-CHD-TSopt-LESS	Armengol i Relats, Helena	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	GENECP	-
	16-Oct-2020	/Au_Cp XIa	Armengol i Relats, Helena	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	GENECP	-
	16-Oct-2020	/Au_Cp 6a-Au-alkyne	Armengol i Relats, Helena	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	GENECP	-
	16-Oct-2020	/Au_Cp TSXa-XIa	Armengol i Relats, Helena	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	GENECP	-
	16-Oct-2020	/Au_Cp Xb	Armengol i Relats, Helena	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	GENECP	-
	16-Oct-2020	/Au_Cp TSXa-XIIa	Armengol i Relats, Helena	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	GENECP	-

Results 1-10 of 91 (Search time: 0.001 seconds).