Advancing Theory for Kinetics and Dynamics of Complex, Many-Dimensional Systems

Advancing Theory for Kinetics and Dynamics of Complex, Many-Dimensional Systems PDF Author: Tamiki Komatsuzaki
Publisher: John Wiley & Sons
ISBN: 0470643714
Category : Science
Languages : en
Pages : 276

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Book Description
This series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. Volume 145 in the series continues to report recent advances with significant, up-to-date chapters by internationally recognized researchers.

Advancing Theory for Kinetics and Dynamics of Complex, Many-Dimensional Systems

Advancing Theory for Kinetics and Dynamics of Complex, Many-Dimensional Systems PDF Author: Tamiki Komatsuzaki
Publisher: John Wiley & Sons
ISBN: 0470643714
Category : Science
Languages : en
Pages : 276

Get Book

Book Description
This series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. Volume 145 in the series continues to report recent advances with significant, up-to-date chapters by internationally recognized researchers.

Reviews in Computational Chemistry

Reviews in Computational Chemistry PDF Author: Abby L. Parrill
Publisher: John Wiley & Sons
ISBN: 1119518075
Category : Science
Languages : en
Pages : 352

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Book Description
The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered on molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume 31 include: Lattice-Boltzmann Modeling of Multicomponent Systems: An Introduction Modeling Mechanochemistry from First Principles Mapping Energy Transport Networks in Proteins The Role of Computations in Catalysis The Construction of Ab Initio Based Potential Energy Surfaces Uncertainty Quantification for Molecular Dynamics

Reaction Rate Constant Computations

Reaction Rate Constant Computations PDF Author: Keli Han
Publisher: Royal Society of Chemistry
ISBN: 1849736502
Category : Science
Languages : en
Pages : 592

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Book Description
The reaction rate constant plays an essential role a wide range of processes in biology, chemistry and physics. Calculating the reaction rate constant provides considerable understanding to a reaction and this book presents the latest thinking in modern rate computational theory. The editors have more than 30 years' experience in researching the theoretical computation of chemical reaction rate constants by global dynamics and transition state theories and have brought together a global pool of expertise discussing these in a variety of contexts and across all phases. This thorough treatment of the subject provides an essential handbook to students and researchers entering the field and a comprehensive reference to established practitioners across the sciences, providing better tools to determining reaction rate constants.

An Introduction to Cluster Science

An Introduction to Cluster Science PDF Author: Phuong Mai Dinh
Publisher: John Wiley & Sons
ISBN: 3527675701
Category : Science
Languages : en
Pages : 258

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Book Description
Filling the need for a solid textbook, this short primer in cluster science is ideal for a one-semester lecture for advanced undergraduate students. It is based on a series of lectures given by the well-established and recognized authors for the past ten years. The book covers both the basics of the domain as well as up-to-date developments. It can be divided roughly into two parts. The first three chapters introduce basic concepts of cluster science. Chapter 1 provides a general introduction, complemented by chapter 2 on experimental and chapter 3 on theoretical aspects. The second half of the book is devoted to a systematic presentation of free cluster properties, and to a thorough discussion of the impact of clusters in other domains of science. These explicitly worked-out links between cluster physics and other research areas are unique both in terms of fundamental aspects and of applications, and cannot be found elsewhere in the literature. Also suitable for researchers outside of the field looking for an introduction to cluster science.

Strain Mechanisms in Lead-Free Ferroelectrics for Actuators

Strain Mechanisms in Lead-Free Ferroelectrics for Actuators PDF Author: Matias Acosta
Publisher: Springer
ISBN: 3319277561
Category : Technology & Engineering
Languages : en
Pages : 181

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Book Description
This book addresses and analyzes the mechanisms responsible for functionality of two technologically relevant materials, giving emphasis on the relationship between structural transitions and electromechanical properties. The author investigates the atomic crystal structure and microstructure by means of thermal analysis, as well as diffraction and microscopy techniques. Electric field-, temperature- and frequency-dependent electromechanical properties are also described. Apart from this correlation between structure and properties, characterization was also performed to bridge between basic research and optimization of application-oriented parameters required for technological implementation. The author proposes guidelines to the reader in order to engineer functional properties in other piezoelectric systems, as well as in other similar functional materials with the perovskite structure.

Catalogue for the Academic Year

Catalogue for the Academic Year PDF Author: Naval Postgraduate School (U.S.)
Publisher:
ISBN:
Category : Naval education
Languages : en
Pages : 156

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Book Description


Journal of the Physical Society of Japan

Journal of the Physical Society of Japan PDF Author:
Publisher:
ISBN:
Category : Physics
Languages : en
Pages : 758

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Book Description


Advanced Molecular Dynamics and Chemical Kinetics

Advanced Molecular Dynamics and Chemical Kinetics PDF Author: Gert Due Billing
Publisher: Wiley-Interscience
ISBN:
Category : Science
Languages : en
Pages : 316

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Book Description
A comprehensive, in-depth presentation of theoretical underpinnings and mathematical techniques This is the first book of its kind to combine all the theories of molecular reaction dynamics and chemical kinetics in a single source. It provides a sophisticated treatment of the material that functions both as a professional reference and a high-level text for PhD and postdoctoral researchers. Advanced Molecular Dynamics and Chemical Kinetics offers exceptional, in-depth coverage and includes a complete discussion of the theoretical as well as mathematical presentation of techniques. It features relevant exercises as well as comprehensive coverage of: * Second Quantization * Semiclassical Theory * Quantum Theory of Reaction Rates * Feynman Path Integrals * Wavepacket Propagation and Grid Methods * Photodissociation * Molecular Properties of Solvated Molecules * Quantum Model for Electron Transfer * Electron Transfer Coupling Elements * Proton Transfer Reactions in Solution This is the ideal reference for seasoned professionals in molecular reaction dynamics as well as for younger researchers who may want to enter the field or simply wish to learn more about it. Also available: Introduction to Molecular Dynamics and Chemical Kinetics Gert D. Billing and Kurt V. Mikkelsen

University of Michigan Official Publication

University of Michigan Official Publication PDF Author: University of Michigan
Publisher: UM Libraries
ISBN:
Category : Education, Higher
Languages : en
Pages : 212

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Book Description
Each number is the catalogue of a specific school or college of the University.

Announcement ...

Announcement ... PDF Author: Tennessee. University
Publisher:
ISBN:
Category : Universities and colleges
Languages : en
Pages : 534

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Book Description