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

Search

previous
1
...
133
134
135
136
137
138
139
...
1285
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Jan-2019	HNEt3	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-293.0014291; Eh
	24-Jan-2019	cod	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-312.143059; Eh
	24-Jan-2019	HI	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-11.9943817; Eh
	24-Jan-2019	/Beta-Hydride_Elimination TS-NEt3-4-12	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-2388.2245222; Eh
	24-Jan-2019	/Beta-Hydride_Elimination TS-iodine-4-12	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-2095.6714676; Eh
	24-Jan-2019	/Rearrangement-Deproton-Oxidation 3	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1781.1179749; Eh
	24-Jan-2019	NEt3	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-292.5253378; Eh
	3-Feb-2017	TS3_gas_	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	ONIOM; M062X; UFF	-	-983.303119139; Eh
	3-Feb-2017	F_gas	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	ONIOM; M062X; UFF	-	-983.330405137; Eh
	24-Jan-2019	/Reductive_Elimination TS-6-Ni(II)	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-2083.5844991; Eh

Results 1351-1360 of 12842 (Search time: 0.004 seconds).