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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	14-Jul-2015	rS2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-157.661311439; Eh
	12-Feb-2019	sa-AuPd-0111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-162.63719257; eV
	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
	14-Jul-2015	radicalP8_5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-196.942032075; Eh
	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
	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
	21-Jun-2018	/DMF_solvent/Cluster_DMF Cluster-8_DMF	Mudarra, Ángel Luís; Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(d)	-1987.58958653; Eh
	18-Sep-2019	coke_h6	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-677.22951206; eV
	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
	21-Jun-2018	/DMF_solvent/Cluster_DMF Cluster-5_DMF	Mudarra, Ángel Luís; Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(d)	-1242.23522534; Eh

Results 21721-21730 of 104508 (Search time: 0.013 seconds).