Reviews in Computational Chemistry, Volume 25 [Hardcover]

VOLUME 25

Reviews in Computational Chemistry

Kenny B. Lipkowitz and Thomas R. Cundari

This Volume, Like Those Prior To It, Features Pedagogically Driven Reviews By Experts In Various Fields Of Computational Chemistry. Volume 25 Contains: Eight Chapters Covering The Glass Transition In Polymer Melts, Atomistic Modeling Of Friction, The Computation Of Free Volume, Structural Order And Entropy Of Liquids And Glasses, The Reactivity Of Materials At Extreme Conditions, Magnetic Properties Of Transition Metal Clusters, Multiconfigurational Quantum Methods For The Treatment Of Heavy Metals, Recursive Solutions To Large Eigenvalue Problems, And The Development And Uses Of Artificial Intelligence In Chemistry.

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 SOCIETY1. Determining the Glass Transition in Polymer Melts (Wolfgang Paul).

Introduction.

Phenomenology of the Glass Transition.

Model Building.

Chemically Realistic Modeling.

Coarse-Grained Models.

Coarse-Grained Models of the Bead-Spring Type.

The Bond-Fluctuation Lattice Model.

Simulation Methods.

Monte Carlo Methods.

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