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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
27-Feb-2018	K-I-C5-1THF-I5	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2705.60027043; Eh
27-Feb-2018	C5-TS3	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2433.48837325; Eh
27-Feb-2018	K-I-C5-3THF-TS2	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-311++g**	-3170.52332914; Eh
11-Apr-2021	/Diels_Alder ma-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-311++G(D,P)	-379.407213788; 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-Br-C6-2THF-I6	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2979.31044044; 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-R6	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-287.739059222; Eh
27-Feb-2018	spiro-P5	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	-	-720.538565695; Eh
27-Feb-2018	K-Br-spiroC5-2THF-I5	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-3171.12010537; Eh

Results 2651-2660 of 12842 (Search time: 0.004 seconds).