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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Apr-2020	I4	Garcia Melchor, Max	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-1998.73233367; Eh
	28-Apr-2020	I7	Garcia Melchor, Max	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-1997.58985243; Eh
	28-Apr-2020	I8	Garcia Melchor, Max	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-1997.59866895; Eh
	28-Apr-2020	TS5	Garcia Melchor, Max	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RwB97XD	SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-1997.54407607; Eh
	28-Apr-2020	TS4	Garcia Melchor, Max	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RwB97XD	SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-1916.68733140; Eh
	28-Apr-2020	TS3	Garcia Melchor, Max	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RwB97XD	SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-1916.67830272; Eh
	28-Apr-2020	TS-assoc-NH_act	Garcia Melchor, Max	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RwB97XD	SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-2163.67092640; Eh
	28-Apr-2020	BH_act-product	Garcia Melchor, Max	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RwB97XD	SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-1915.47989404; Eh
	28-Apr-2020	Co-cat-py	Garcia Melchor, Max	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RwB97XD	SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-2080.52560483; Eh
	28-Apr-2020	pyridine	Garcia Melchor, Max	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RwB97XD	6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-248.202446809; Eh

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