2 resultados para Density functional theory methods
em Aberystwyth University Repository - Reino Unido
Resumo:
Flikkema, Edwin; Bromley, S.T., (2003) 'A new interatomic potential for nanoscale silica', Chemical Physics Letters 378(5-6) pp.622-629 RAE2008
Resumo:
Flikkema, E., & Bromley, S. T. (2004). Dedicated global optimization search for ground state silica nanoclusters: (SiO2)(N) (N=6-12). Journal of Physical Chemistry B, 108 (28), 9638-9645. RAE2008