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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-May-2020	/1Ni/Eoh_oh/HS 1Ni_OHOH-LS-axial	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-1087.58760123; Eh
	5-May-2020	/1Ni/Eoh_oh/LS 1Ni_OHOH-LS-axial	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-1087.64975399; Eh
	5-May-2020	/TS/1Fe/ts_search 1Fe_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	-1041.15389242; 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/ts_search 1Fe_O_othersite_ts-freq	Craig, Michael	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	UTPSSh	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-1041.15389242; 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
	5-May-2020	/TS/1Fe 1Fe_O_othersite	Craig, Michael	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	-	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D)	-1041.22268656; Eh
	5-May-2020	/1Co/E_h2o_h2o_iii 1Co_H2O-III-LS	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-1064.56646958; Eh
	5-May-2020	/1Co/E_oh_o_v/LS 1Co_concerted-axial_LS	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-1062.79292081; Eh

Results 41-50 of 178 (Search time: 0.002 seconds).