A unified description of MCl3 systems with a polarizable ion simulation model
Computer simulations of a range of ionic systems of stoichiometry MX3 using a polarizable, formal charge ionic interaction model are described. The objective of the present work is to describe the optimization of the interaction potentials in the light of new structural information which has become...
主要な著者: | Hutchinson, F, Wilson, M, Madden, P |
---|---|
フォーマット: | Journal article |
言語: | English |
出版事項: |
2001
|
類似資料
-
Structure of molten MCl(3) systems from a polarizable ion simulation model
著者:: Hutchinson, F, 等
出版事項: (1999) -
Atomistic molecular dynamics simulation of the catalytically-active nano- and bulk ALPHA-ALF3 phases using the polarizable ion model (PIM).
著者:: Chaudhuri, S, 等
出版事項: (2003) -
Ions in solutions: Determining their polarizabilities from first-principles.
著者:: Molina, J, 等
出版事項: (2011) -
Models of environmental effects on anion polarizability
著者:: Wilson, M, 等
出版事項: (1999) -
Polarizabilities of individual molecules and ions in liquids from first principles
著者:: Salanne, M, 等
出版事項: (2008)