ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
2
3
4
...
25
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Oct-2019	H2-from-H6PtW6O24(2e_2H)	Lang, Zhongling	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D) 6-31G(D,P) LANL2DZ GEN	-2336.64659385; Eh
	29-Oct-2019	H6PtW6O24(2e_2H)	Lang, Zhongling	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D) 6-31G(D,P) LANL2DZ GEN	-2336.73112094; Eh
	29-Oct-2019	H5PtW6O24	Lang, Zhongling	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D) 6-31G(D,P) LANL2DZ GEN	-2335.03881009; Eh
	29-Oct-2019	H6PtW6O24	Lang, Zhongling	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D) 6-31G(D,P) LANL2DZ GEN	-2335.47766122; Eh
	12-Nov-2019	H6PtW6O24(2e_2H)-H2	Lang, Zhongling	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D) 6-31G(D,P) LANL2DZ GEN	-2336.64659385; Eh
	12-Nov-2019	H6PtW6O24(2e_2H)	Lang, Zhongling	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D) 6-31G(D,P) LANL2DZ GEN	-2336.73112094; Eh
	24-Jun-2019	Hydride_transfer	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G* GENECP*	-1940.40828088; Eh
	24-Jun-2019	N-methylformanilide-trans	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GEN*	-439.965178533; Eh
	24-Jun-2019	Mo-10-alt2	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GENECP*	-2225.50729563; Eh
	24-Jun-2019	Proton_transfer	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RM06	6-31+G* GENECP*	-1940.43500138; Eh

Results 1-10 of 244 (Search time: 0.002 seconds).