ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
8
9
10
11
12
13
14
...
25
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Aug-2020	Eooh_Ru_N-Al-b3lyp-ls-pcmbb	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7583.92150041; Eh
	10-Aug-2020	Mn_N-PCo3-Evac-b3lyp-hs-pcmbb	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7640.41557947; Eh
	10-Aug-2020	Ru3_N-AlCo3-Evac-b3lyp-mul13-pcm	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7432.93080992; Eh
	10-Aug-2020	Mn_N-PCo3-EoV-b3lyp-pcmbb	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7715.36689151; Eh
	10-Aug-2020	Mn_N-PCo3-EvacIII-b3lyp-hs-pcmbb	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7640.25557261; Eh
	10-Aug-2020	MnII_N-AlCo3-Eoh-b3lyp-hs-pcmbb	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7519.01185724; Eh
	10-Aug-2020	MnII_N-AlCo3-Eo-b3lyp-hs-pcmbb	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7518.33652467; Eh
	10-Aug-2020	MnII_N-AlCo3-Evac-b3lyp-hs-pcmbb	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7443.19294635; Eh
	14-Oct-2022	/Si-H_vibrations I	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UB3LYP	SDD 6-31+G(D,P) 6-31G(D,P) GEN	-1639.13618358; Eh
	22-Jun-2023	IC_O	Yohei, Kametani	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	GEN	-3629.71965087; Eh

Results 101-110 of 248 (Search time: 0.002 seconds).