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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-May-2020	/5Fe/E_water 5Fe_water	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-1191.97128468; Eh
	5-May-2020	/1Fe_E_NO2/E_oh_h2o_iv 1Fe_H2O_OH-IV_E-NO2_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	-1246.77977100; Eh
	5-May-2020	/1Fe_E_NO2/E_oh_h2o_iii 1Fe_H2O_OH-HS_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	-1246.99052654; Eh
	5-May-2020	/1Fe_E_NO2/E_o_h2o_iv 1Fe_h2o_O-LS_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	-1246.35478312; Eh
	5-May-2020	/1Fe_R_F/E_h2o_h2o_iii 1Fe_H2o-HS-R-F	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-1142.17337586; Eh
	5-May-2020	/1Fe_E_NO2/E_o_h2o_v 1Fe_h2o_O-V_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	-1246.11608601; Eh
	5-May-2020	/1Ni/E_h2o_oh_iii/LS 1Ni_OH-LS-axial-retry	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-1088.30385963; Eh
	5-May-2020	/1Ni/E_h2o_h2o_iii 1Ni_H2O-III-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	-1088.75519530; Eh
	5-May-2020	/1Ni/E_h2o_oh_iii/HS 1Ni_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	-1088.28190419; Eh
	5-May-2020	/1Ni/E_oh_o_v/HS 1Ni_concerted-axial_HS	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-1086.92219165; Eh

Results 41-50 of 173 (Search time: 0.001 seconds).