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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
27-Feb-2018	K-Br-C4-2THF-I5	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-311++g**	-2900.54288934; 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	K-Br-C6-2THF-I5	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-311++g**	-2979.16482608; Eh
27-Feb-2018	K-I-C5-1THF-I6	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-311++g**	-2705.65027608; Eh
27-Feb-2018	Na-Br-C5-0THF-I6	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2609.08184909; Eh
27-Feb-2018	K-Br-C4-3THF-I5	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-311++g**	-3133.01227478; Eh
27-Feb-2018	K-Br-C6-3THF-I6	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-311++g**	-3211.78063667; Eh
27-Feb-2018	Na-Br-C5-2THF-I6	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-3074.01912593; Eh
27-Feb-2018	K-I-C6-0THF-TS2	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2512.43567024; Eh
27-Feb-2018	Br-spiroC5-TS4b	Ni, Shaofei	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2444.80453794; Eh

Results 2631-2640 of 12842 (Search time: 0.004 seconds).