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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
27-Feb-2018	K-Br-C5-2THF-TS2	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2939.83864588; Eh
27-Feb-2018	K-I-C6-3THF-I6	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-3210.00861591; Eh
27-Feb-2018	Br-C4-TS1	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2174.29200017; Eh
27-Feb-2018	K-I-C5-0THF-I6	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2473.18111022; 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	I-R5	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-246.637141303; Eh
27-Feb-2018	K-Br-spiroC5-1THF-I6	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2938.68638958; Eh
27-Feb-2018	K-I-C6-0THF-I5	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2512.42461424; Eh
27-Feb-2018	K-I-C6-2THF-I5	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2977.37881500; Eh
27-Feb-2018	K-I-C5-0THF-TS2	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2473.10931859; Eh

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