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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-May-2020	/1Co/E_h2o_o_iv/LS 1Co_O-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	-1063.44169304; Eh
	5-May-2020	/1Co/E_h2o_o_iv/HS 1Co_O-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	-1063.40626300; 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	/3Fe/E_h2o_h2o_ii 3Fe_H2O-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	-1272.99998126; Eh
	5-May-2020	/3Fe/E_o_oh_v 3Fe_O5_other	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-1271.07264453; Eh
	5-May-2020	/3Fe/Eoh_oh/HS 3Fe_OH-OH-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	-1271.70212665; Eh
	5-May-2020	/3Fe/Eoh_oh/LS 3Fe_OH-OH-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	-1271.72491083; Eh
	5-May-2020	/1Fe_R_F/E_o_oh_v 1Fe_O5othersite-LS-axial_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	-1140.42190001; Eh
	5-May-2020	/1Fe_R_F/E_h2o_oh_iv/LS 1FeIV_OH-LS-axial_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	-1141.50638864; Eh
	5-May-2020	/1Fe_R_F/E_h2o_oh_iv/HS 1FeIV_OH-HS-axial_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	-1141.49434884; Eh

Results 61-70 of 173 (Search time: 0.001 seconds).