ioChem-BD Browse - Institute of Chemical Research of Catalonia: Search

Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
9-Nov-2018	/vacuum/complexes nh2wco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-689.935126168; Eh
27-Feb-2018	I-C5-TS1	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-311++g**	-2211.81633783; Eh
27-Feb-2018	I-R6	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-285.950682802; Eh
27-Feb-2018	K-I-C6-3THF-TS2	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-3209.82522731; Eh
27-Feb-2018	spiroC5-TS3	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2664.75021478; Eh
27-Feb-2018	K-Br-C6-0THF-I5	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2514.21333783; Eh
27-Feb-2018	Br-spiro-R5	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-479.673092982; Eh
27-Feb-2018	K-Br-C6-0THF-TS2	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2514.19708431; Eh
27-Feb-2018	Br-spiroC5-TS4d	Ni, Shaofei	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2444.81869150; Eh
27-Feb-2018	I1	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-1944.29046348; Eh

Results 2621-2630 of 12842 (Search time: 0.004 seconds).