energy landscapes applications to clusters biomolecules and glasses cambridge molecular science

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Energy Landscapes

Author : David Wales
ISBN : 0521814154
Genre : Science
File Size : 22. 61 MB
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The study of energy landscapes holds the key to resolving some of the most important contemporary problems in chemical physics. Many groups are now attempting to understand the properties of clusters, glasses and proteins in terms of the underlying potential energy surface. The aim of this book is to define and unify the field of energy landscapes in a reasonably self-contained exposition. This is the first book to cover this active field. The book begins with an overview of each area in an attempt to make the subject matter accessible to workers in different disciplines. The basic theoretical groundwork for describing and exploring energy landscapes is then introduced followed by applications to clusters, biomolecules and glasses in the final chapters. Beautifully illustrated in full colour throughout, this book is aimed at graduate students and workers in the field.

Computational Methods To Study The Structure And Dynamics Of Biomolecules And Biomolecular Processes

Author : Adam Liwo
ISBN : 9783642285547
Genre : Computers
File Size : 62. 51 MB
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Since the second half of the 20th century machine computations have played a critical role in science and engineering. Computer-based techniques have become especially important in molecular biology, since they often represent the only viable way to gain insights into the behavior of a biological system as a whole. The complexity of biological systems, which usually needs to be analyzed on different time- and size-scales and with different levels of accuracy, requires the application of different approaches, ranging from comparative analysis of sequences and structural databases, to the analysis of networks of interdependence between cell components and processes, through coarse-grained modeling to atomically detailed simulations, and finally to molecular quantum mechanics. This book provides a comprehensive overview of modern computer-based techniques for computing the structure, properties and dynamics of biomolecules and biomolecular processes. The twenty-two chapters, written by scientists from all over the world, address the theory and practice of computer simulation techniques in the study of biological phenomena. The chapters are grouped into four thematic sections dealing with the following topics: the methodology of molecular simulations; applications of molecular simulations; bioinformatics methods and use of experimental information in molecular simulations; and selected applications of molecular quantum mechanics. The book includes an introductory chapter written by Harold A. Scheraga, one of the true pioneers in simulation studies of biomacromolecules.

Intermetallics

Author : Walter Steurer
ISBN : 9780191023927
Genre : Science
File Size : 24. 65 MB
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The fascinating world of intermetallics is largely unexplored. There are many exciting physical properties and important technological applications of intermetallics, from magnetism to superconductivity. The main focus of this book is on the statistics, topology and geometry of crystal structures and structure types of intermetallic phases. The underlying physics, in particular chemical bonding, is discussed whenever it helps understand the stability of structures and the origin of their physical properties. The authors' approach, based on the statistical analysis of more than twenty thousand intermetallic compounds in the data base Pearson's Crystal Data, uncovers important structural relationships and illustrates the relative simplicity of most of the general structural building principles. It also shows that a large variety of actual structures can be related to a rather small number of aristotypes. The text aims to be readable and beneficial in one way or another to everyone interested in intermetallic phases, from graduate students to experts in solid state chemistry and physics, and materials science. For that purpose it avoids the use of enigmatic abstract terminology for the classification of structures. Instead, it focuses on the statistical analysis of crystal structures and structure types in order to draw together a larger overview of intermetallics, and indicate the gaps in it - areas still to be explored, and potential sources of worthwhile research. The text should be read as a reference guide to the incredibly rich world of intermetallic phases.

Underpotential Deposition

Author : Oscar Alejandro Oviedo
ISBN : 9783319243948
Genre : Science
File Size : 66. 55 MB
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With this volume, Ezequiel P. M. Leiva and co-authors fill a gap in the available literature, by providing a much-needed, comprehensive review of the relevant literature for electrochemists, materials scientists and energy researchers. For the first time, they present applications of underpotential deposition (UPD) on the nanoscale, such as nanoparticles and nanocavities, as well as for electrocatalysis. They also discuss real surface determinations and layer-by-layer growth of ultrathin films, as well as the very latest modeling approaches to UPD based on nanothermodynamics, statistical mechanics, molecular dynamics and Monte-Carlo simulations.

Structural Characterization Of Ge As S Chalcogenide Glasses And Understanding Structural Relaxation In Oxide Glasses

Author : Sezen Soyer-Uzun
ISBN : UCAL:X84679
Genre :
File Size : 30. 46 MB
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Sixth International Conference Of The Balkan Physical Union

Author : Serkant Ali Cetin
ISBN : UCSD:31822036069946
Genre : Science
File Size : 43. 27 MB
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The BPU-6 Conference belongs to a series of triennial general physics conferences organized under the auspices of the Balkan Physical Union (BPU). The previous conferences were organized in Thessaloniki, Greece (1991), Izmir, Turkey (1994), Cluj-Napoca, Romania (1997), Veliko Trnovo, Bulgaria (2000), and Vrnjacka Banja, Serbia and Montenegro (2003). The BPU conferences are usually attended by about 80 scientists, educators and engineers involved in research, education and applications of physics. The Conference is open to all scientists from the Balkan countries working in physics and related areas. Participants from outside the Balkans are also welcome. Participation of young physicists and students is highly appreciated. The BPU-6 Conference covers the most important results and trends in the following fields of physics: Nuclear physics and nuclear energy; astronomy and astrophysics; gravitation and cosmology; atomic and molecular physics; high energy physics; condensed matter physics and statistical physics; optics and lasers; plasma and gas-discharge physics; theoretical and mathematical physics; computational physics; meteorology and geophysics; environmental physics; alternative sources of energy; econophysics; applied physics; biophysics and medical physics; physics education; history of philosophy of physics; meteorology and instrumentation.

Spectroscopy And Modelling Of Biomolecular Building Blocks

Author : Jean-Pierre Schermann
ISBN : UCSD:31822034674242
Genre : Science
File Size : 66. 95 MB
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Spectroscopy and Modeling of Biomolecular Building Blocks presents an overview of recent advances in the intertwining of the following research fields: photon and electron spectroscopy, quantum chemistry, modelling and mass-spectrometry. The coupling of these disciplines offers a new point of view to the understanding of isolated elementary building blocks of biomolecules and their assemblies. It allows the unambiguous separation between intrinsic properties of biomolecular systems and those induced by the presence of their environment. The first chapters provide background in modelling (I), frequency-resolved spectroscopy using microwave, infrared and UV photons, time-resolved spectroscopy in the femtosecond domain and energy-resolved electron spectroscopy (II) and production of gas-phase neutral and ionic biomolecular species, mass-spectrometry, ion mobility and BIRD techniques (III). Chapter IV is devoted to case studies of gas-phase experimental investigations coupled to quantum or classical calculations. The topics are structural studies of nucleobases and oligonucleotides, peptides and proteins, sugars; neuromolecules; non-covalent complexes; chiral systems, interactions of low-energy electrons with biomolecules in the radiation chemistry context and very large gas-phase biomolecular systems. The fifth chapter concerns the link between gas-phase and liquid-phase. Different treatments of solvation are illustrated through examples pointing out the influence of progressive addition of water molecules upon properties of nucleobases, peptides, sugars and neuromolecules. Offer a new perspective to the understanding of isolated elementary building blocks of bio molecules Includes case studies of experimental investigations coupled to quantum or classical calculations

Geometric Structures Of Phase Space In Multidimensional Chaos

Author : Mikito Toda
ISBN : 0471711578
Genre : Chemistry, Physical and theoretical
File Size : 20. 5 MB
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Geometric Structures Of Phase Space In Multi Dimensional Chaos

Author : Mikito Toda
ISBN : 0471711578
Genre : Science
File Size : 78. 23 MB
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This series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. "Volume 130 in the series continues to report recent advances with significant, up-to-date chapters by internationally recognized researchers.

Geometric Structures Of Phase Space In Multidimensional Chaos

Author : Mikito Toda
ISBN : 0471711578
Genre : Science
File Size : 29. 55 MB
Format : PDF, ePub
Download : 794
Read : 248

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This series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. "Volume 130 in the series continues to report recent advances with significant, up-to-date chapters by internationally recognized researchers.

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