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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Jun-2021	/solvent H3O+_n=2	Ortuño Maqueda, Manuel Angel	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D,P) 6-31+G(D) GEN	-153.126703366; Eh
	30-Jun-2021	/solvent H2O_n=2	Ortuño Maqueda, Manuel Angel	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D,P) 6-31+G(D) GEN	-152.803167100; Eh
	30-Jun-2021	/solvent H2O_n=6	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D,P) 6-31+G(D) GEN	-458.461079467; Eh
	30-Jun-2021	/initial_complexes Complex_5_H2	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-3482.30395832; Eh
	30-Jun-2021	/initial_complexes Complex_5_H	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-3481.86424743; Eh
	30-Jun-2021	/initial_complexes Complex_4_H	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AM64L-G09RevC.01	Single point Structure	RM06	SDD 6-31G(D) 6-31G(D,P) GEN	-1967.66024194; Eh
	30-Jun-2021	/initial_complexes Complex_13_H2	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-4386.57148472; Eh
	30-Jun-2021	/new_complexes Complex_22_H2	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-3583.24527036; Eh
	30-Jun-2021	/new_complexes Complex_20_H	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-2417.40520144; Eh
	30-Jun-2021	/new_complexes Complex_21_H2	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD 6-31G(D) 6-31G(D,P) GEN	-3602.63826207; Eh

Results 11-20 of 65 (Search time: 0.001 seconds).