Keyword [Density functional method] Result: 21 - 25 | Page: 2 of 2 21.  Towards more realistic molecular modeling of catalysis with density functional theory: Combined QM/MM and ab initio molecular dynamics methods 22.  Computer simulations of crystal structures using density functional theory 23.  Electronic structure calculations of solids using density-functional method 24.  DENSITY FUNCTIONAL THEORY OF DONOR-BOUND MULTI-EXCITON COMPLEXES IN SILICON AND GERMANIUM 25.  Study On The Structures And Properties Of Transition Metal Doped Silicon And Germanium Clusters TMX_n (TM=Cu,Ag,Au;X=Si,Ge) With Double Hybrid Density Functional Method   <<First  <Prev  Next>  Last>>  Jump to

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