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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/ligands_pKa/OH-_w3 OH-_w3_tzvp	Mariusz, Radon	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	DEF2TZVP	-305.430903103; Eh
	30-Apr-2021	/models_type2/species_X singlet_tzvp	Mariusz, Radon	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	DEF2TZVP	-2685.32436131; Eh
	30-Apr-2021	/models_type1/species_Y singl_tzvp	Mariusz, Radon	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	DEF2TZVP	-2608.37019196; Eh
	30-Apr-2021	/models_type1/ligands OH-_tzvp	Mariusz, Radon	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	DEF2TZVP	-75.9477195884; 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/ligands Im-_tzvp	Mariusz, Radon	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	DEF2TZVP	-225.839469380; Eh
	30-Apr-2021	/models_type1/ligands ImH_tzvp	Mariusz, Radon	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	DEF2TZVP	-226.329684351; Eh
	30-Apr-2021	/models_type1/ligands H2O_tzvp	Mariusz, Radon	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	DEF2TZVP	-76.4710155446; Eh
	30-Apr-2021	/models_type2/species_X singlet_sv-p	Mariusz, Radon	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	DEF2SV DEF2SVP GEN	-2683.54068937; Eh

Results 11-19 of 19 (Search time: 0.001 seconds).