Foundations of Molecular Modeling and Simulation

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Publisher :
ISBN 13 :
Total Pages : 362 pages
Book Rating : 4.F/5 ( download)

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Book Synopsis Foundations of Molecular Modeling and Simulation by : Peter T. Cummings

Download or read book Foundations of Molecular Modeling and Simulation written by Peter T. Cummings and published by . This book was released on 2001 with total page 362 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Acyclic Hydrocarbons—Advances in Research and Application: 2012 Edition

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Publisher : ScholarlyEditions
ISBN 13 : 1464995753
Total Pages : 422 pages
Book Rating : 4.4/5 (649 download)

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Book Synopsis Acyclic Hydrocarbons—Advances in Research and Application: 2012 Edition by :

Download or read book Acyclic Hydrocarbons—Advances in Research and Application: 2012 Edition written by and published by ScholarlyEditions. This book was released on 2012-12-26 with total page 422 pages. Available in PDF, EPUB and Kindle. Book excerpt: Acyclic Hydrocarbons—Advances in Research and Application: 2012 Edition is a ScholarlyEditions™ eBook that delivers timely, authoritative, and comprehensive information about Acyclic Hydrocarbons. The editors have built Acyclic Hydrocarbons—Advances in Research and Application: 2012 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Acyclic Hydrocarbons in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Acyclic Hydrocarbons—Advances in Research and Application: 2012 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.

AIChE Symposium Series

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ISBN 13 :
Total Pages : 374 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis AIChE Symposium Series by : American Institute of Chemical Engineers

Download or read book AIChE Symposium Series written by American Institute of Chemical Engineers and published by . This book was released on 2001 with total page 374 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Coarse-Graining of Condensed Phase and Biomolecular Systems

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Publisher : CRC Press
ISBN 13 : 1420059564
Total Pages : 492 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis Coarse-Graining of Condensed Phase and Biomolecular Systems by : Gregory A. Voth

Download or read book Coarse-Graining of Condensed Phase and Biomolecular Systems written by Gregory A. Voth and published by CRC Press. This book was released on 2008-09-22 with total page 492 pages. Available in PDF, EPUB and Kindle. Book excerpt: Exploring recent developments in the field, Coarse-Graining of Condensed Phase and Biomolecular Systems examines systematic ways of constructing coarse-grained representations for complex systems. It explains how this approach can be used in the simulation and modeling of condensed phase and biomolecular systems. Assembling some of the most influential, world-renowned researchers in the field, this book covers the latest developments in the coarse-grained molecular dynamics simulation and modeling of condensed phase and biomolecular systems. Each chapter focuses on specific examples of evolving coarse-graining methodologies and presents results for a variety of complex systems. The contributors discuss the minimalist, inversion, and multiscale approaches to coarse-graining, along with the emerging challenges of coarse-graining. They also connect atomic-level information with new coarse-grained representations of complex systems, such as lipid bilayers, proteins, peptides, and DNA.

The Art of Molecular Dynamics Simulation

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Publisher : Cambridge University Press
ISBN 13 : 9780521825689
Total Pages : 568 pages
Book Rating : 4.8/5 (256 download)

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Book Synopsis The Art of Molecular Dynamics Simulation by : D. C. Rapaport

Download or read book The Art of Molecular Dynamics Simulation written by D. C. Rapaport and published by Cambridge University Press. This book was released on 2004-04 with total page 568 pages. Available in PDF, EPUB and Kindle. Book excerpt: First time paperback of successful physics monograph. Copyright © Libri GmbH. All rights reserved.

The Journal of Chemical Physics

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ISBN 13 :
Total Pages : 1168 pages
Book Rating : 4.6/5 (158 download)

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Book Synopsis The Journal of Chemical Physics by :

Download or read book The Journal of Chemical Physics written by and published by . This book was released on 2003 with total page 1168 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Statistical Mechanics: Theory and Molecular Simulation

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Publisher : OUP Oxford
ISBN 13 : 0191523461
Total Pages : 719 pages
Book Rating : 4.1/5 (915 download)

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Book Synopsis Statistical Mechanics: Theory and Molecular Simulation by : Mark Tuckerman

Download or read book Statistical Mechanics: Theory and Molecular Simulation written by Mark Tuckerman and published by OUP Oxford. This book was released on 2010-02-11 with total page 719 pages. Available in PDF, EPUB and Kindle. Book excerpt: Complex systems that bridge the traditional disciplines of physics, chemistry, biology, and materials science can be studied at an unprecedented level of detail using increasingly sophisticated theoretical methodology and high-speed computers. The aim of this book is to prepare burgeoning users and developers to become active participants in this exciting and rapidly advancing research area by uniting for the first time, in one monograph, the basic concepts of equilibrium and time-dependent statistical mechanics with the modern techniques used to solve the complex problems that arise in real-world applications. The book contains a detailed review of classical and quantum mechanics, in-depth discussions of the most commonly used ensembles simultaneously with modern computational techniques such as molecular dynamics and Monte Carlo, and important topics including free-energy calculations, linear-response theory, harmonic baths and the generalized Langevin equation, critical phenomena, and advanced conformational sampling methods. Burgeoning users and developers are thus provided firm grounding to become active participants in this exciting and rapidly advancing research area, while experienced practitioners will find the book to be a useful reference tool for the field.

Properties and Separations of Plant-derived Chemicals

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Publisher :
ISBN 13 :
Total Pages : 490 pages
Book Rating : 4.3/5 (129 download)

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Book Synopsis Properties and Separations of Plant-derived Chemicals by : Dung Thi Vu

Download or read book Properties and Separations of Plant-derived Chemicals written by Dung Thi Vu and published by . This book was released on 2007 with total page 490 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Applying Molecular Simulation and Computational Chemistry

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Publisher :
ISBN 13 :
Total Pages : 420 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Applying Molecular Simulation and Computational Chemistry by :

Download or read book Applying Molecular Simulation and Computational Chemistry written by and published by . This book was released on 2001 with total page 420 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Dissertation Abstracts International

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ISBN 13 :
Total Pages : 790 pages
Book Rating : 4.F/5 ( download)

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Book Synopsis Dissertation Abstracts International by :

Download or read book Dissertation Abstracts International written by and published by . This book was released on 2001 with total page 790 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Multiscale Molecular Methods in Applied Chemistry

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Publisher : Springer Science & Business Media
ISBN 13 : 3642249671
Total Pages : 333 pages
Book Rating : 4.6/5 (422 download)

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Book Synopsis Multiscale Molecular Methods in Applied Chemistry by : Barbara Kirchner

Download or read book Multiscale Molecular Methods in Applied Chemistry written by Barbara Kirchner and published by Springer Science & Business Media. This book was released on 2012-01-25 with total page 333 pages. Available in PDF, EPUB and Kindle. Book excerpt: First-Principles-Based Multiscale, Multiparadigm Molecular Mechanics and Dynamics Methods for Describing Complex Chemical Processes, by A. Jaramillo-Botero, R. Nielsen, R. Abrol, J. Su, T. Pascal, J. Mueller and W. A. Goddard.- Dynamic QM/MM: A Hybrid Approach to Simulating Gas–Liquid Interactions, by S. Yockel and G. C. Schatz.- Multiscale Modelling in Computational Heterogeneous Catalysis, by F. J. Keil.- Real-World Predictions from Ab Initio Molecular Dynamics Simulations, by B. Kirchner, P. J. di Dio and J. Hutter.- Nanoscale Wetting Under Electric Field from Molecular Simulations, by C. D. Daub, D. Bratko and A. Luzar.- Molecular Simulations of Retention in Chromatographic Systems: Use of Biased Monte Carlo Techniques to Access Multiple Time and Length Scales, by J. L. Rafferty, J. I. Siepmann, M. R. Schure.- Thermodynamic Properties for Applications in Chemical Industry via Classical Force Fields, by G. Guevara-Carrion, H. Hasse and J. Vrabec.- Multiscale Approaches and Perspectives to Modeling Aqueous Electrolytes and Polyelectrolytes, by L. Delle Site, C. Holm and N. F. A. van der Vegt.- Coarse-Grained Modeling for Macromolecular Chemistry, by H. A. Karimi-Varzaneh and F. Müller-Plathe.-

Polymer Science: A Comprehensive Reference

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Publisher : Newnes
ISBN 13 : 0080878628
Total Pages : 7752 pages
Book Rating : 4.0/5 (88 download)

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Book Synopsis Polymer Science: A Comprehensive Reference by :

Download or read book Polymer Science: A Comprehensive Reference written by and published by Newnes. This book was released on 2012-12-05 with total page 7752 pages. Available in PDF, EPUB and Kindle. Book excerpt: The progress in polymer science is revealed in the chapters of Polymer Science: A Comprehensive Reference, Ten Volume Set. In Volume 1, this is reflected in the improved understanding of the properties of polymers in solution, in bulk and in confined situations such as in thin films. Volume 2 addresses new characterization techniques, such as high resolution optical microscopy, scanning probe microscopy and other procedures for surface and interface characterization. Volume 3 presents the great progress achieved in precise synthetic polymerization techniques for vinyl monomers to control macromolecular architecture: the development of metallocene and post-metallocene catalysis for olefin polymerization, new ionic polymerization procedures, and atom transfer radical polymerization, nitroxide mediated polymerization, and reversible addition-fragmentation chain transfer systems as the most often used controlled/living radical polymerization methods. Volume 4 is devoted to kinetics, mechanisms and applications of ring opening polymerization of heterocyclic monomers and cycloolefins (ROMP), as well as to various less common polymerization techniques. Polycondensation and non-chain polymerizations, including dendrimer synthesis and various "click" procedures, are covered in Volume 5. Volume 6 focuses on several aspects of controlled macromolecular architectures and soft nano-objects including hybrids and bioconjugates. Many of the achievements would have not been possible without new characterization techniques like AFM that allowed direct imaging of single molecules and nano-objects with a precision available only recently. An entirely new aspect in polymer science is based on the combination of bottom-up methods such as polymer synthesis and molecularly programmed self-assembly with top-down structuring such as lithography and surface templating, as presented in Volume 7. It encompasses polymer and nanoparticle assembly in bulk and under confined conditions or influenced by an external field, including thin films, inorganic-organic hybrids, or nanofibers. Volume 8 expands these concepts focusing on applications in advanced technologies, e.g. in electronic industry and centers on combination with top down approach and functional properties like conductivity. Another type of functionality that is of rapidly increasing importance in polymer science is introduced in volume 9. It deals with various aspects of polymers in biology and medicine, including the response of living cells and tissue to the contact with biofunctional particles and surfaces. The last volume is devoted to the scope and potential provided by environmentally benign and green polymers, as well as energy-related polymers. They discuss new technologies needed for a sustainable economy in our world of limited resources. Provides broad and in-depth coverage of all aspects of polymer science from synthesis/polymerization, properties, and characterization methods and techniques to nanostructures, sustainability and energy, and biomedical uses of polymers Provides a definitive source for those entering or researching in this area by integrating the multidisciplinary aspects of the science into one unique, up-to-date reference work Electronic version has complete cross-referencing and multi-media components Volume editors are world experts in their field (including a Nobel Prize winner)

Computer Simulation of Liquids

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Publisher : Oxford University Press
ISBN 13 : 0198803192
Total Pages : 641 pages
Book Rating : 4.1/5 (988 download)

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Book Synopsis Computer Simulation of Liquids by : M. P. Allen

Download or read book Computer Simulation of Liquids written by M. P. Allen and published by Oxford University Press. This book was released on 2017 with total page 641 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is the second edition of a widely used practical guide to computer simulations of liquids. The technique uses a model for the way molecules interact, to predict how large numbers of them behave in liquid state. This essential introduction to this rapidly growing field is complete with illustrative computer code.

Na-ion Batteries

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Publisher : John Wiley & Sons
ISBN 13 : 1789450136
Total Pages : 386 pages
Book Rating : 4.7/5 (894 download)

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Book Synopsis Na-ion Batteries by :

Download or read book Na-ion Batteries written by and published by John Wiley & Sons. This book was released on 2021-05-11 with total page 386 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers both the fundamental and applied aspects of advanced Na-ion batteries (NIB) which have proven to be a potential challenger to Li-ion batteries. Both the chemistry and design of positive and negative electrode materials are examined. In NIB, the electrolyte is also a crucial part of the batteries and the recent research, showing a possible alternative to classical electrolytes – with the development of ionic liquid-based electrolytes – is also explored. Cycling performance in NIB is also strongly associated with the quality of the electrode-electrolyte interface, where electrolyte degradation takes place; thus, Na-ion Batteries details the recent achievements in furthering knowledge of this interface. Finally, as the ultimate goal is commercialization of this new electrical storage technology, the last chapters are dedicated to the industrial point of view, given by two startup companies, who developed two different NIB chemistries for complementary applications and markets.

Simulation Methods for Polymers

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Publisher : CRC Press
ISBN 13 : 0824751310
Total Pages : 572 pages
Book Rating : 4.8/5 (247 download)

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Book Synopsis Simulation Methods for Polymers by : Michael Kotelyanskii

Download or read book Simulation Methods for Polymers written by Michael Kotelyanskii and published by CRC Press. This book was released on 2004-03-01 with total page 572 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Monte Carlo and Molecular Dynamics of Condensed Matter Systems

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Publisher : Compositori
ISBN 13 :
Total Pages : 1010 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Monte Carlo and Molecular Dynamics of Condensed Matter Systems by : Kurt Binder

Download or read book Monte Carlo and Molecular Dynamics of Condensed Matter Systems written by Kurt Binder and published by Compositori. This book was released on 1996 with total page 1010 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Droplet Dynamics Under Extreme Ambient Conditions

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Publisher : Springer Nature
ISBN 13 : 303109008X
Total Pages : 372 pages
Book Rating : 4.0/5 (31 download)

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Book Synopsis Droplet Dynamics Under Extreme Ambient Conditions by : Kathrin Schulte

Download or read book Droplet Dynamics Under Extreme Ambient Conditions written by Kathrin Schulte and published by Springer Nature. This book was released on 2022 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt: This open access book presents the main results of the Collaborative Research Center SFB-TRR 75, which spanned the period from 2010 to 2022. Scientists from a variety of disciplines, ranging from thermodynamics, fluid mechanics, and electrical engineering to chemistry, mathematics, computer science, and visualization, worked together toward the overarching goal of SFB-TRR 75, to gain a deep physical understanding of fundamental droplet processes, especially those that occur under extreme ambient conditions. These are, for example, near critical thermodynamic conditions, processes at very low temperatures, under the influence of strong electric fields, or in situations with extreme gradients of boundary conditions. The fundamental understanding is a prerequisite for the prediction and optimisation of engineering systems with droplets and sprays, as well as for the prediction of droplet-related phenomena in nature. The book includes results from experimental investigations as well as new analytical and numerical descriptions on different spatial and temporal scales. The contents of the book have been organised according to methodological fundamentals, phenomena associated with free single drops, drop clusters and sprays, and drop and spray phenomena involving wall interactions.