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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Apr-2020	TS1	Garcia Melchor, Max	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RwB97XD	SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-1915.49048819; Eh
	28-Apr-2020	TS2	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	-1998.71424446; 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	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	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	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	TS-BH_act	Garcia Melchor, Max	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RwB97XD	SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-1915.47292821; Eh
	3-May-2019	Ru-4-OHf-dispffbf07-b	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1505.15434010; Eh
	3-May-2019	Mn-10-O-dispbff	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1341.67243943; Eh
	3-May-2019	Ni-17-OH-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-2381.13968413; Eh

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