TY - BOOK ID - 77940382 TI - Computational chemistry. PY - 2005 SN - 1281897043 9786611897048 9812701303 9789812701305 9781281897046 9812560971 9789812560971 6611897046 PB - Singapore Hackensack, NJ World Scientific DB - UniCat KW - Chemistry KW - Mathematics. UR - https://www.unicat.be/uniCat?func=search&query=sysid:77940382 AB - Vast progress in the area of computational chemistry has been achieved in the last decade. Theoretical methods such as quantum mechanics, molecular dynamics and statistical mechanics have been successfully used to characterize chemical systems and to design new materials, drugs and chemicals. The reviews presented in this volume discuss the current advances in computational methodologies and their applications. The areas covered include materials science, nanotechnology, inorganic and biological systems. The major thrust of the book is to bring timely overviews of new findings and methods appl ER -