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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/Cluster_DMF Cluster-7_DMF	Mudarra, Ángel Luís; Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(d)	-1739.14073511; Eh
	21-Jun-2018	/DMF_solvent/Cluster_DMF Cluster-1_DMF	Mudarra, Ángel Luís; Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(d)	-248.438223841; Eh
	18-Sep-2019	coke_h5	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-677.01160891; eV
	14-Jul-2015	radicalP7_1	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-236.227237274; Eh
	14-Jul-2015	radicalP8_5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-196.942032075; Eh
	14-Jul-2015	radicalP8_6	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-196.940881629; Eh
	14-Jul-2015	rS3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-196.945815632; Eh
	14-Jul-2015	rS2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-157.661311439; Eh
	21-Jun-2018	/DMF_solvent 4b-ionpair_DMF	Mudarra, Ángel Luís; Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	SDD; 6-31G(d)	-3441.68688851; Eh
	21-Jun-2018	/DMF_solvent/Cluster_DMF Cluster-4_DMF	Mudarra, Ángel Luís; Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(d)	-993.785438959; Eh

Results 11381-11390 of 104079 (Search time: 0.009 seconds).