Reviews in Computational Chemistry, Volume 20 ( Reviews in Computational Chemistry )

Publication series :Reviews in Computational Chemistry

Author: Kenny B. Lipkowitz  

Publisher: John Wiley & Sons Inc‎

Publication year: 2004

E-ISBN: 9780471678847

P-ISBN(Hardback):  9780471445258

Subject: O6-04 chemical calculation, statistics chemical

Language: ENG

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Description

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 SOCIETY

Chapter

Preface

pp.:  1 – 7

Contents

pp.:  7 – 11

Contributors

pp.:  11 – 17

3. Calculation of the Electronic Spectra of Large Molecules

pp.:  129 – 181

4. Simulating Chemical Waves and Patterns

pp.:  181 – 247

5. Fuzzy Soft-Computing Methods and Their Applications in Chemistry

pp.:  247 – 277

6. Development of Computational Models for Enzymes, Transporters, Channels, and Receptors Relevant to ADME/Tox

pp.:  277 – 361

Author Index

pp.:  361 – 445

Subject Index

pp.:  445 – 471

LastPages

pp.:  471 – 485

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