Title of article
Computer modelling of molecular ionic materials
Author/Authors
Jackson، نويسنده , , Robert A، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2001
Pages
5
From page
463
To page
467
Abstract
This review describes recent advances and results achieved in the computer modelling of molecular ionic materials. These materials offer particular challenges in modelling because both ionic and covalent interactions contribute to their interatomic forces, and both are therefore responsible for their properties. Ionic materials have been extensively studied, as have molecular solids, and in modelling molecular ionic materials some techniques from both of these are borrowed and used.
Keywords
Molecular ionic materials , Ionic/covalent interactions , Computer Modelling , Interatomic potentials
Journal title
Current Opinion in Solid State and Materials Science
Serial Year
2001
Journal title
Current Opinion in Solid State and Materials Science
Record number
2088695
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