Reviews in Computational Chemistry, Volume 21 ( Reviews in Computational Chemistry )

Publication series :Reviews in Computational Chemistry

Author: Kenny B. Lipkowitz  

Publisher: John Wiley & Sons Inc‎

Publication year: 2005

E-ISBN: 9780471720881

P-ISBN(Hardback):  9780471682394

Subject: O6-04 chemical calculation, statistics chemical

Language: ENG

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Description

REVIEWS IN COMPUTATIONAL CHEMISTRY
Kenny B. Lipkowitz, Raima Larter, and Thomas R. Cundari

This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. TOPICS COVERED IN Volume 21 iNCLUDE AB INITIO QUANTUM SIMULATION IN SOLID STATE CHEMISTRY; MOLECULAR QUANTUM SIMILARITY; ENUMERATING MOLECULES; VARIABLE SELECTION; BIOMOLECULAR APPLICATIONS OF POISSON-BOLTZMANN METHODS; AND DATA SOURCES AND COMPUTATIONAL APPROACHES FOR GENERATING MODELS OF GENE REGULATORY NETWORKS.

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 MODELLING

"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.:  7 – 13

Contents

pp.:  13 – 19

Contributors

pp.:  19 – 21

1. Ab Initio Quantum Simulation in Solid State Chemistry

pp.:  31 – 157

2. Molecular Quantum Similarity: Theory and Applications

pp.:  157 – 239

3. Enumerating Molecules

pp.:  239 – 317

4. Variable Selection—Spoilt for Choice?

pp.:  317 – 379

5. Biomolecular Applications of Poisson–Boltzmann Methods

pp.:  379 – 411

6. Data Sources and Computational Approaches for Generating Models of Gene Regulatory Networks

pp.:  411 – 443

Author Index

pp.:  443 – 461

Subject Index

pp.:  461 – 475

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