ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
2
3
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Nov-2019	PtW6O24	Lang, Zhongling	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D) LANL2DZ GEN	-2332.59459446; Eh
	12-Nov-2019	IRC-TS-3e_3H	Lang, Zhongling	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	-	6-31G(D) 6-31G(D,P) LANL2DZ	-2337.25490668; Eh
	12-Nov-2019	IRC_TS-4e_4H-forward	Lang, Zhongling	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	-	6-31G(D) 6-31G(D,P) LANL2DZ	-2337.84706623; Eh
	12-Nov-2019	IRC_TS-4e_4H-reverse	Lang, Zhongling	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	-	6-31G(D) 6-31G(D,P) LANL2DZ	-2337.84207751; Eh
	12-Nov-2019	H2-S3-from-_H6PtW6O24_4e_4H(Pt)	Lang, Zhongling	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	UM06	6-31G(D) 6-31G(D,P) LANL2DZ GEN	-2337.86196562; Eh
	12-Nov-2019	H6PtW6O24(4e_4H-O)	Lang, Zhongling	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	UM06	6-31G(D) 6-31G(D,P) LANL2DZ GEN	-2337.81974956; Eh
	12-Nov-2019	H2-S1-from-_H6PtW6O24_4e_4H(Pt)	Lang, Zhongling	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D) 6-31G(D,P) LANL2DZ GEN	-2337.88047457; Eh
	12-Nov-2019	H2-from-_H6PtW6O24__3e_3H(Pt)	Lang, Zhongling	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06	6-31G(D) 6-31G(D,P) LANL2DZ GEN	-2337.26968539; Eh
	12-Nov-2019	TS-4e-4H	Lang, Zhongling	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	UM06	6-31G(D) 6-31G(D,P) LANL2DZ GEN	-2337.81787444; Eh
	12-Nov-2019	H6PtW6O24(4e_4H-Pt)	Lang, Zhongling	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	UM06	6-31G(D) 6-31G(D,P) LANL2DZ GEN	-2337.82414427; Eh

Results 1-10 of 22 (Search time: 0.001 seconds).