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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Dec-2017	/Mechanisms/Alternative_Mechanisms/Open_Ligand/TS_CC_Tests/TS_H TS_H	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	-	-2026.37774690; Eh
	1-Dec-2017	/Mechanisms/Side_Intermediates/TS_Isom_Alk TS_Isom_Alk	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	-	-1838.28485771; Eh
	1-Dec-2017	/Mechanisms/Alternative_Mechanisms/Chelate_EpOH/1Al_Oh/TS_Freq/OPT OPT	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	-	-2026.83611635; Eh
	1-Dec-2017	/Mechanisms/Alternative_Mechanisms/Open_Ligand/TS_CC TS_CC	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	-	-2026.82696909; Eh
	1-Dec-2017	/Mechanisms/Alternative_Mechanisms/Open_Ligand/TS_Insertion/Guess/Opt Opt	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	-	-2026.42495057; Eh
	1-Dec-2017	/Mechanisms/Alternative_Mechanisms/Chelate_EpOH/1Al_Oh/TS_H TS_H	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	-	-2026.91646545; Eh
	1-Dec-2017	/Mechanisms/OEp_Insertion/Bimetallic/Scan_Isom/Guess/opt opt	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	-	-3864.40349928; Eh
	1-Dec-2017	/Mechanisms/OEp_Insertion/Bimetallic/Scan_Insertion2/Guess Guess	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	-	-3864.40417162; Eh
	1-Dec-2017	/Mechanisms/OEp_Insertion/Bimetallic/Scan_CC3/Guess Guess	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	-	-3864.37914084; Eh
	1-Dec-2017	/Mechanisms/OEp_Insertion/Bimetallic/TS_Isom TS_Isom	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	-	-3865.25313064; Eh

Results 51-60 of 87 (Search time: 0.002 seconds).