Buscar
Mostrando ítems 1-3 de 3
Systematic cluster growth: a structure search method for transition metal clusters (2021)
(Royal Society of Chemistry, 2021-02-28)
The systematic cluster growth (SCG) method is a biased structure search strategy based on a seeding process for investigating the structural evolution and growth pattern of transition metal clusters. In SCG, a set of initial ...
Reply to ‘Comment on “Structural characterization, reactivity, and vibrational properties of silver clusters: A new global minimum for Ag16”’ by P. V. Nhat, N. T. Si, L. V. Duong and M. T. Nguyen,Phys. Chem. Chem. Phys., 2021,23, DOI: D1CP00646K (2021)
(Royal Society of Chemistry, 2021-06-14)
Recently, P. V. Nhatet al., have discussed and commented on our article (DOI: 10.1039/D0CP04018E) for the case of the most stable structure of Ag15. They have found a new most stable structure (labeled as 15-1) in comparison ...
Structural characterization, reactivity, and vibrational properties of silver clusters: a new global minimum for Ag16 (2020)
(NLM (Medline), 2020-12-07)
In the present work, the lowest energy structures and electronic properties of Agn clusters up to n = 16 are investigated using a successive growth algorithm coupled with density functional theory calculations (DFT). In ...