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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
24-Feb-2020	/PaperStructures/Adducts A_N	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-559.632335083; Eh
24-Feb-2020	/PaperStructures/Adducts A_N_N	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-773.545187223; Eh
24-Feb-2020	/PaperStructures/Adducts A_N_N_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-850.030454675; Eh
24-Feb-2020	/PaperStructures/Adducts A_N_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-636.108992967; Eh
24-Feb-2020	/PaperStructures/Adducts A_N_W_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-712.593621195; Eh
24-Feb-2020	/PaperStructures/Adducts A_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-422.195334037; Eh
24-Feb-2020	/PaperStructures/Adducts A_W_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-498.672725819; Eh
24-Feb-2020	/PaperStructures/Adducts I_N	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-697.073287438; Eh
24-Feb-2020	/PaperStructures/Adducts I_N_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-773.554713027; Eh
24-Feb-2020	/PaperStructures/Adducts I_N_W_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-850.037095890; Eh
24-Feb-2020	/PaperStructures/Adducts I_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-559.639118313; Eh
24-Feb-2020	/PaperStructures/Adducts I_W_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-636.118279666; Eh
24-Feb-2020	/PaperStructures/Adducts I_W_W_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-712.599349142; Eh
24-Feb-2020	/PaperStructures/Adducts Int_N	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-773.548127632; Eh
24-Feb-2020	/PaperStructures/Adducts Int_N_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-850.028529639; Eh
24-Feb-2020	/PaperStructures/Adducts Int_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-636.113822802; Eh
24-Feb-2020	/PaperStructures/Adducts Int_W_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-712.598744597; Eh
24-Feb-2020	/PaperStructures/Adducts N_N	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-427.816638070; Eh
24-Feb-2020	/PaperStructures/Adducts N_N_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-504.298154258; Eh
24-Feb-2020	/PaperStructures/Adducts N_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-290.385672764; Eh

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