THIS VOLUME, LIKE THOSE PRIOR TO IT, FEATURES CHAPTERS BY EXPERTS IN VARIOUS FIELDS OF COMPUTATIONAL CHEMISTRY. TOPICS COVERED IN VOLUME 20 INCLUDE VALENCE THEORY, ITS HISTORY, FUNDAMENTALS, AND APPLICATIONS; MODELING OF SPIN-FORBIDDEN REACTIONS; CALCULATION OF THE ELECTRONIC SPECTRA OF LARGE MOLECULES; SIMULATING CHEMICAL WAVES AND PATTERNS; FUZZY SOFT-COMPUTING METHODS AND THEIR APPLICATIONS IN CHEMISTRY; AND DEVELOPMENT OF COMPUTATIONAL MODELS FOR ENZYMES, TRANSPORTERS, CHANNELS, AND RECEPTORS RELEVANT TO ADME/TOX.
FROM REVIEWS OF THE SERIES
"Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry."
-JOURNAL OF MOLECULAR GRAPHICS AND MODELING
"One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)."
-JOURNAL OF THE AMERICAN CHEMICAL SOCIETYContent:
Chapter 1 Valence Bond Theory, Its History, Fundamentals, and Applications: A Primer (pages 1–100): Sason Shaik and Philippe C. Hiberty
Chapter 2 Modeling of Spin?Forbidden Reactions (pages 101–152): Nikita Matsunaga and Shiro Koseki
Chapter 3 Calculation of the Electronic Spectra of Large Molecules (pages 153–218): Stefan Grimme
Chapter 4 Simulating Chemical Waves and Patterns (pages 219–247): Raymond Kapral
Chapter 5 Fuzzy Soft?Computing Methods and Their Applications in Chemistry (pages 249–331): Costel Sarbu and Horia F. Pop
Chapter 6 Development of Computational Models for Enzymes, Transporters, Channels, and Receptors Relevant to ADME/Tox (pages 333–415): Sean Ekins and Peter W. Swaan