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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 THFH+_n=1	Ortuño Maqueda, Manuel Angel	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D,P) 6-31+G(D) 6-31G(D) GEN	-232.621487672; Eh
	30-Jun-2021	/solvent THF_n=1	Ortuño Maqueda, Manuel Angel	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D,P) 6-31+G(D) 6-31G(D) GEN	-232.295275899; Eh
	30-Jun-2021	/initial_complexes Complex_7_H	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AM64L-G09RevC.01	Geometry optimization Minimum	RM06	SDD 6-31G(D) 6-31G(D,P) GEN	-3470.38070251; Eh
	30-Jun-2021	/initial_complexes Complex_1_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	-3511.26382541; Eh
	30-Jun-2021	/solvent THF_n=3_non-stacked	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D,P) 6-31+G(D) 6-31G(D) GEN	-696.901272851; Eh
	30-Jun-2021	/solvent THFH+_n=3	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D,P) 6-31+G(D) 6-31G(D) GEN	-697.287068922; Eh
	30-Jun-2021	/initial_complexes Complex_15_H	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD 6-31G(D) 6-31G(D,P) GEN	-3466.19337362; Eh
	30-Jun-2021	/solvent H3O+_n=10	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D,P) 6-31+G(D) GEN	-764.510175488; Eh
	30-Jun-2021	/solvent H2O_n=10	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D,P) 6-31+G(D) GEN	-764.139757805; Eh
	30-Jun-2021	/solvent H3O+_n=6	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D,P) 6-31+G(D) GEN	-458.830339007; Eh

Results 151-160 of 274 (Search time: 0.002 seconds).