ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
2
3
4
5
6
7
8
...
15
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Jun-2019	N-methylformanilide-cis	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GEN*	-439.968611501; Eh
	24-Jun-2019	Mo-4	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GENECP*	-2487.88170303; Eh
	24-Jun-2019	Mo-10	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GENECP*	-2225.51276459; Eh
	24-Jun-2019	Ethanol	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GEN*	-154.952432732; Eh
	10-May-2019	Concerted_proton_transfer_with_morpholine	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-537.165584059; Eh
	10-May-2019	Morpholine	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-287.626189587; Eh
	18-Mar-2019	Protonation_with_methylformanilide	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-689.540080844; Eh
	18-Mar-2019	Deprotonation_with_methylformanilide	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-689.534610348; Eh
	18-Mar-2019	Urea	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-225.176236451; Eh
	18-Mar-2019	Methyl_tBuPhenol	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-660.828368903; Eh

Results 41-50 of 141 (Search time: 0.001 seconds).