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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 Rot_Ester	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-670.537964942; Eh
	18-Feb-2021	/Mechanism_Details/Pyridine_Based Or_Ester	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-670.535536841; Eh
	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 HC_PyH	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-670.519018688; Eh
	18-Feb-2021	/Mechanism_Details/Alt_Pathways Adduct_Water_Dimer	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-575.149012857; Eh
	18-Feb-2021	/Mechanism_Details/Alt_Pathways Adduct_tBuOH	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-655.955352295; 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 Adduct_Water	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-498.702652491; 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

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