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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
18-Apr-2017	/wB97xD 1Int-cis_bis	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	LanL2DZ; 6-311G**	-1423.06036328; Eh
18-Apr-2017	/wB97xD BnepBenzene	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-524.948316906; Eh
18-Apr-2017	/wB97xD B2nep2	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-586.616132879; Eh
18-Apr-2017	/wB97xD Fluorobenzene	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-331.465126634; Eh
18-Apr-2017	/M06-2X Int2_1_mono	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	LanL2DZ; 6-311G**	-1155.20901680; Eh
18-Apr-2017	/M06-2X Cat	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	LanL2DZ; 6-311G**	-1091.40667549; Eh
18-Apr-2017	/M06-2X NaFBOPh	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-862.393278087; Eh
18-Apr-2017	/M06-2X BnepBenzene	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-524.909085165; Eh
18-Apr-2017	/M06-2X B2nep2	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-586.572873825; Eh
18-Apr-2017	/M06-2X BnepOPh	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-600.175852843; Eh

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