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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Feb-2021	/Mechanism_Details/Pyridine_Based TS_H_to_Py	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G(D,P)	-670.518612373; Eh
	18-Feb-2021	/Mechanism_Details/Pyridine_Based TS_decomp_Py	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G(D,P)	-670.512103574; Eh
	18-Feb-2021	/Mechanism_Details/Alt_Pathways TS_tBuOH	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G(D,P)	-655.922351075; Eh
	18-Feb-2021	/Mechanism_Details/Alt_Pathways TS_Water_Mono	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G(D,P)	-498.666521093; Eh
	18-Feb-2021	/Mechanism_Details/Alt_Pathways TS_Water_Dimer	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G(D,P)	-575.120178067; Eh
	18-Feb-2021	/Toluene TS_Py_Addition	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G(D,P)	-670.485703479; Eh
	18-Feb-2021	/Water TS_Peroxo_Break	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G(D,P)	-670.360395648; Eh
	18-Feb-2021	/Water TS_Decomp	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G(D,P)	-670.511807231; Eh
	18-Feb-2021	/Water TS_Py_Addition	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G(D,P)	-670.493812498; Eh
	18-Feb-2021	/BenzylAlcohol TS_Py_Addition	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G(D,P)	-670.495638181; Eh

Results 1-10 of 95 (Search time: 0.001 seconds).