ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
2
3
4
5
6
...
26
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	4-Jun-2018	17F	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-31+G**	-2293.82125993; Eh
	4-Jun-2018	TS10-11F	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-31+G**	-802.558120418; Eh
	4-Jun-2018	TS08-09F	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-31+G**	-2007.56019224; Eh
	28-Aug-2021	Ru_3a1_9_O5	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	-	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D)	-1595.53769752; Eh
	10-Aug-2020	Mn_N-SiCo3-Eoh-b3lyp-hs-pcmbb-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7612.89645144; Eh
	10-Aug-2020	FePCo3-Evac-b3lyp-hs-pcmb-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7659.89844442; Eh
	10-Aug-2020	Fe_nnHS-PCo4-Eo-b3lyp-ls-pcmb-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7734.99462620; Eh
	10-Aug-2020	Fe_nnHS-PCo4-Eoh-b3lyp-ls-pcmb-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7735.66754714; Eh
	10-Aug-2020	SiCo4-Evac-b3lyp-hs-pcm-disp-bbb-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7578.19824197; Eh
	10-Aug-2020	SiCo4-Eooh-b3lyp-ls-pcmb-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7729.11226714; Eh

Results 21-30 of 259 (Search time: 0.002 seconds).