ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
2
3
4
...
15
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Jul-2019	/dispersion/Ru_4/Eoh dispersion_Ru-4-OHf-dispffbf07-b	Craig, Michael	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	UTPSSh	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-1505.15429665; Eh
	18-Mar-2019	Protonation_with_tertbutyl-methylphenol	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G**	-910.380419763; Eh
	18-Mar-2019	Concerted_eq_proton_transfer_with_tbd	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G**	-840.648042027; Eh
	18-Mar-2019	Deprotonation_eq_with_triphenylguanidine	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G**	-1300.00812071; Eh
	18-Mar-2019	Deprotonation_ax_with_Methyl_formanilide	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G**	-842.094823435; Eh
	18-Mar-2019	Protonation_with_diisopropyl-methylphenol	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G**	-831.822106502; Eh
	18-Mar-2019	Protonation_with_urea	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G**	-474.708428180; Eh
	18-Mar-2019	Protonation_ax_with_Methyl_formanilide	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G**	-842.094823435; Eh
	18-Mar-2019	Deprotonation_with_trimethylphenol	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G**	-674.685327185; Eh
	18-Mar-2019	Protonation_ax_with_triphenylguanidine	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G**	-1300.01428451; Eh

Results 1-10 of 145 (Search time: 0.002 seconds).