Description
Book SynopsisChemical Modelling: Applications and Theory comprises critical literature reviews of all aspects of molecular modelling. Molecular modelling in this context refers to modelling the structure, properties and reactions of atoms, molecules and materials. Each chapter provides a selective review of recent literature, incorporating sufficient historical perspective for the non-specialist to gain an understanding. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves with major developments in the area.
Table of ContentsPreface; Uncovering molecular secrets of ionic liquids; interaction-induced electric properties; Modeling biological cells; Particle based multiscale simulation methods and applications; Size-dependent electronic structure of semiconductor nanoparticles; On choosing the best density functional approximation; Molecular dynamics simulation of ionic liquids adsorbed onto a solid surface and confined in nanospace
