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Title	Author(s)	Program	Method(s)	Basis Set	Energy
B-rot	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-3141.5472129; Eh
TS-BC-rot	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-3141.5347372; Eh
C-rot	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-3141.5442061; Eh
TS-CD-rot	Díaz-Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	RB3LYP	CC-PVTZ GENECP	-3141.5379338; Eh
F14-I	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-3731.1647776; Eh
F8_I	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-3731.1676482; Eh
substrate_I_toluene	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-1829.4599686; Eh
macrolactone_I_toluene	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-1750.8267216; Eh
ethylene_toluene	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GEN	-78.6251228; Eh
cyclooctene_I_toluene	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GEN	-994.1130551; Eh
lactone6_I_toluene	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-756.6860152; Eh
substrate_H_dcm	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GEN	-1456.8271382; Eh
macrolactone_H_dcm	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GEN	-1378.2008445; Eh
ethylene_dcm	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GEN	-78.6261029; Eh
cyclooctene_dcm	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GEN	-994.1153182; Eh
lactone6_H_dcm	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GEN	-384.0617451; Eh
substrate_OPMB_dcm	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GEN	-1956.4538358; Eh
macrolactone_OPMB_dcm	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GEN	-1877.8190792; Eh
lactone6_OPMB_dcm	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GEN	-883.6784194; Eh
/model_system substrate	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GEN	-736.7808891; Eh
/model_system Hoveyda_Grubbs_II	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-2404.7629442; Eh
/model_system TS-precatA	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-2404.7315717; Eh
/model_system A	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-2404.743805; Eh
/model_system TS-AB	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-3141.5366674; Eh
/model_system B	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-3141.5444712; Eh