Reviews in Computational Chemistry, Volume 21

ISBN-13: 9780471682394 / Angielski / Twarda / 2005 / 472 str.

Kenny B. Lipkowitz; Donald B. Boyd; Raima Larter

Opis

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

Spis treści

1. Ab Initio Quantum Simulation in Solid State Chemistry 1 (Roberto Dovesi, Bartolomeo Civalleri, Roberto Orlando, Carla Roetti, and Victor R. Saunders).

2. Molecular Quantum Similarity: Theory and Applications (Patrick Bultinck, Xavier Gironés, and Ramon Carbó–Dorca).

3. Enumerating Molecules (Jean–Loup Faulon, Donald P. Visco, Jr., and Diana Roe).

4. Variable Selection Spoilt for Choice? (David J. Livingstone and David W. Salt).

5. Biomolecular Applications of Poisson Boltzmann Methods (Nathan A. Baker).

6. Data Sources and Computational Approaches for Generating Models of Gene Regulatory Networks (Baltazar D. Aguda, Georghe Craciun, and Rengul Cetin–Atalay).

Author Index.

Subject Index.