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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Apr-2021	/models_type2/species_3 quartet_tzvp	Mariusz, Radon	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	DEF2TZVP	-2783.87448933; Eh
	30-Apr-2021	/models_type1/species_X singlet_tzvp	Mariusz, Radon	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	DEF2TZVP	-2608.84283417; Eh
	30-Apr-2021	/models_type1/species_2b quartet_tzvp	Mariusz, Radon	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	DEF2TZVP	-2554.89224616; Eh
	30-Apr-2021	/models_type1/species_1 quartet_tzvp	Mariusz, Radon	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	DEF2TZVP	-2555.36764882; Eh
	30-Apr-2021	/models_type1/species_A sextet_tzvp	Mariusz, Radon	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	DEF2TZVP	-2478.87665012; Eh
	30-Apr-2021	/models_type1/ligands Im-_tzvp	Mariusz, Radon	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	DEF2TZVP	-225.839469380; Eh
	30-Apr-2021	/models_type1/species_A quartet_sv-p	Mariusz, Radon	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	DEF2SV DEF2SVP GEN	-2477.37222895; Eh
	30-Apr-2021	/models_type0/species_2a_and_3 quartet_tzvp	Mariusz, Radon	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	DEF2TZVP	-2385.12866727; Eh
	30-Apr-2021	/models_type1/species_A sextet_sv-p	Mariusz, Radon	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	DEF2SV DEF2SVP GEN	-2477.36157949; Eh
	30-Apr-2021	/models_type1/species_1 doublet_sv-p	Mariusz, Radon	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	DEF2SV DEF2SVP GEN	-2553.73886309; Eh

Results 61-70 of 116 (Search time: 0.0 seconds).