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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-May-2020	/TS/1Fe_E_NO2 1Fe_E-NO2-O_ts	Craig, Michael	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	UTPSSh	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-1245.66132526; Eh
	5-May-2020	/TS/1Mn/ts_search 1Mn_O_ts	Craig, Michael	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	UTPSSh	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-1021.68858280; Eh
	5-May-2020	/TS/1Mn 1Mn_O_othersite_ts	Craig, Michael	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	UTPSSh	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-1021.68171361; Eh
	5-May-2020	/3Fe/E_h2o_h2o_iii 3Fe_H2O-III-HSb	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UTPSSh	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-1272.80584412; Eh
	5-May-2020	/TS/1Fe_E_NO2 1Fe_O_othersite_ts_E-NO2	Craig, Michael	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	UTPSSh	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-1245.65353748; Eh
	5-May-2020	/TS/1Fe 1Fe_ts_other_site	Craig, Michael	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	UTPSSh	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-1041.15412515; Eh
	5-May-2020	/TS/1Fe 1Fe_O_ts	Craig, Michael	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	UTPSSh	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-1041.15865343; 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	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
	3-May-2019	Ni-17-O	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-2380.46638281; Eh

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