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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Jun-2018	/DMF_solvent 4b-ani_DMF	Mudarra, Ángel Luís; Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	SDD; 6-31G(d)	-822.211547005; Eh
	21-Jun-2018	/THF_solvent/Clusters_THF Cluster-3_THF	Mudarra, Ángel Luís; Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(d)	-697.158312519; Eh
	21-Jun-2018	/THF_solvent/Clusters_THF Cluster-8_THF	Mudarra, Ángel Luís; Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(d)	-2091.52314217; Eh
	21-Jun-2018	/THF_solvent/Clusters_THF Cluster-4_THF	Mudarra, Ángel Luís; Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(d)	-929.550840310; Eh
	21-Jun-2018	/THF_solvent/Clusters_THF Cluster-2_THF	Mudarra, Ángel Luís; Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(d)	-464.765044999; Eh
	21-Jun-2018	/THF_solvent/Clusters_THF Cluster-1_THF	Mudarra, Ángel Luís; Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(d)	-232.381992893; Eh
	8-Nov-2018	/water/complexes aq-hhgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-177.2378423; Eh
	9-Nov-2018	/vacuum/complexes ofenooso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-545.538465137; Eh
	14-Jul-2015	rS4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-236.230272020; Eh
	31-Aug-2016	t23	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); SDD	-3101.68350259; Eh

Results 1821-1830 of 12842 (Search time: 0.004 seconds).