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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-May-2020	/1Fe_E_NO2/Eoh_oh/LS 1Fe_OHOH-LS-axial_E-NO2	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-1246.35394528; Eh
	5-May-2020	/1Fe_E_NO2/Eoh_oh/HS 1Fe_OHOH-HS-axial_E-NO2	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-1246.27071030; Eh
	5-May-2020	/1Fe_E_NO2/E_h2o_o_iv/HS 1Fe_O-HS-axial_E-NO2	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	-	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D)	-1246.33507404; Eh
	5-May-2020	/1Fe/E_h2o_h2o_III 1Fe_H2O_III-HS-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	-1042.93492492; Eh
	5-May-2020	/1Fe/E_h2o_oh_iii/HS 1Fe_OH-HS-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	-1042.48669232; Eh
	5-May-2020	/1Fe/E_h2o_oh_iii/LS 1Fe_OH-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	-1042.49001469; Eh
	5-May-2020	/1Fe/E_oh_o_v 1Fe_concerted-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	-1041.19189727; Eh
	5-May-2020	/1Fe/Eoh_oh 1Fe_oh_oh	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-1041.84685028; Eh

Results 171-178 of 178 (Search time: 0.001 seconds).