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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
18-Jul-2018	methane	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g*	-40.4888420983; Eh
27-Feb-2018	K-I-C6-1THF-TS2	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2744.88332275; Eh
27-Feb-2018	Br-spiroC5-TS4c	Ni, Shaofei	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2444.81023087; Eh
27-Feb-2018	Na-Br-C5-1THF-TS2	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2841.49127970; Eh
27-Feb-2018	Br-spiroC5-I3	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2444.87796025; Eh
27-Feb-2018	K-Br-spiroC5-0THF-I6	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2706.21453260; Eh
27-Feb-2018	K-Br-spiroC5-2THF-TS2	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-3171.08783513; Eh
27-Feb-2018	K-Br-C6-0THF-I6	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2514.38114715; Eh
27-Feb-2018	Br-R4	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-209.111510495; Eh
27-Feb-2018	Br-C4-I3	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2174.30948636; Eh

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