Theoretical studies as a tool for understanding the aromatic character of porphyrinoid compounds
Atomistic modeling for molecular electronics and spintronics: successes and challenges
Dynamics and electronic structure of atomic clusters
Clusters as catalysts: advantages and challenges
Modeling the oxidation mechanism of pyrite and arsenopyrite – connection to acid rock drainage
About this book
Chemical modelling covers a wide range of hot topics and active areas in computational chemistry and related fields. With the increase in volume, velocity and variety of information, researchers can find it difficult to keep up to date with the literature in these areas. Containing both comprehensive and critical reviews, this book is the first stop for any materials scientist, biochemist, chemist or molecular physicist wishing to acquaint themselves with major developments in the applications and theory of chemical modelling.