Free Energy Calculations PDF Download
Are you looking for read ebook online? Search for your book and save it on your Kindle device, PC, phones or tablets. Download Free Energy Calculations PDF full book. Access full book title Free Energy Calculations by Christophe Chipot. Download full books in PDF and EPUB format.
Author: Christophe Chipot
Publisher: Springer Science & Business Media
ISBN: 3540384472
Category : Language Arts & Disciplines
Languages : en
Pages : 528
Get Book Here
Book Description
Free energy constitutes the most important thermodynamic quantity to understand how chemical species recognize each other, associate or react. Examples of problems in which knowledge of the underlying free energy behaviour is required, include conformational equilibria and molecular association, partitioning between immiscible liquids, receptor-drug interaction, protein-protein and protein-DNA association, and protein stability. This volume sets out to present a coherent and comprehensive account of the concepts that underlie different approaches devised for the determination of free energies. The reader will gain the necessary insight into the theoretical and computational foundations of the subject and will be presented with relevant applications from molecular-level modelling and simulations of chemical and biological systems. Both formally accurate and approximate methods are covered using both classical and quantum mechanical descriptions. A central theme of the book is that the wide variety of free energy calculation techniques available today can be understood as different implementations of a few basic principles. The book is aimed at a broad readership of graduate students and researchers having a background in chemistry, physics, engineering and physical biology.
Author: Christophe Chipot
Publisher: Springer Science & Business Media
ISBN: 3540384472
Category : Language Arts & Disciplines
Languages : en
Pages : 528
Get Book Here
Book Description
Free energy constitutes the most important thermodynamic quantity to understand how chemical species recognize each other, associate or react. Examples of problems in which knowledge of the underlying free energy behaviour is required, include conformational equilibria and molecular association, partitioning between immiscible liquids, receptor-drug interaction, protein-protein and protein-DNA association, and protein stability. This volume sets out to present a coherent and comprehensive account of the concepts that underlie different approaches devised for the determination of free energies. The reader will gain the necessary insight into the theoretical and computational foundations of the subject and will be presented with relevant applications from molecular-level modelling and simulations of chemical and biological systems. Both formally accurate and approximate methods are covered using both classical and quantum mechanical descriptions. A central theme of the book is that the wide variety of free energy calculation techniques available today can be understood as different implementations of a few basic principles. The book is aimed at a broad readership of graduate students and researchers having a background in chemistry, physics, engineering and physical biology.
Author: Tony Lelivre
Publisher: World Scientific
ISBN: 1848162480
Category : Science
Languages : en
Pages : 471
Get Book Here
Book Description
This monograph provides a general introduction to advanced computational methods for free energy calculations, from the systematic and rigorous point of view of applied mathematics. Free energy calculations in molecular dynamics have become an outstanding and increasingly broad computational field in physics, chemistry and molecular biology within the past few years, by making possible the analysis of complex molecular systems. This work proposes a new, general and rigorous presentation, intended both for practitioners interested in a mathematical treatment, and for applied mathematicians interested in molecular dynamics.
Author: Keith Tutt
Publisher:
ISBN:
Category : Energy conservation
Languages : en
Pages : 384
Get Book Here
Book Description
THE SCIENTIST, THE MADMAN, THE THIEF AND THEIR LIGHTBULB reveals the revolutionary work of inventors and scientists who have struggled to develop clean and 'fuelless' new ways to produce the electricity we need for the 21st century and beyond. If the technologies could be developed commercially, they would offer almost costless energy, which would mean the end of the oil economy and freely available electricity throughout the developed and underdeveloped world. THE SCIENTIST, THE MADMAN, THE THIEF AND THEIR LIGHTBULB contains the elements of a dramatic conspiracy thriller in which greed, mendacity, murder, suicide, suppression, betrayal, jealousy, madness and misunderstood genius all play their full parts. It also investigates the complex psychology of invention and reserves a chapter for those inventors who are either self-deluded mavericks or charlatans who aim to trick gullible investors out of their savings. Most importantly, there are technologies here that offer to solve the planet's most serious problem: global warming and climate change caused by fossil fuel power plants and car emissions. Is the technological solution to global warming contained within these pages?
Author: Terrell L. Hill
Publisher: Courier Corporation
ISBN: 0486150658
Category : Science
Languages : en
Pages : 130
Get Book Here
Book Description
This three-part treatment translates the technical language of research monographs on the theory of free energy transfer in biology, making the subject more accessible to those entering the field. Designed for upper-level classes in biochemistry or biophysics, it can also be used for independent study. 36 figures. 1989 edition.
Author: J. Douglas Kenyon
Publisher: Simon and Schuster
ISBN: 1591439973
Category : History
Languages : en
Pages : 350
Get Book Here
Book Description
Reveals the cutting edge of New Science and shows how established science disallows inquiry that challenges the status quo--even when it produces verifiable results • Contains 43 essays by 19 researchers denoting cutting-edge, heretical, or suppressed scientific research, including Immanuel Velikovsky, Nikola Tesla, Rupert Sheldrake, and Masaru Emoto • Edited by Atlantis Rising publisher, J. Douglas Kenyon Following the model of his bestselling Forbidden History and Forbidden Religion, J. Douglas Kenyon has assembled from his bimonthly journal, Atlantis Rising, material that explores science and technology that has been suppressed by the orthodox scientific community--from the true function of the Great Pyramid and the megaliths at Nabta Playa to Immanuel Velikovsky’s astronomical insights, free energy from space, cold fusion, and Rupert Sheldrake’s research into telepathy and ESP. There is an organized war going on in science between materialistic theory and anything that could be termed spiritual or metaphysical. For example, Masaru Emoto’s research into the energetics of water, although supported by photographic evidence, has been scoffed at by mainstream science because he has asserted that humans affect their surroundings with their thoughts. The materialism or absolute skepticism of the scientific establishment is detrimental to any scientific inquiry that thinks outside the box. This mentality is interested in preserving funding for its own projects, those that will not rock the establishment. From Tesla’s discovery of alternating current to Robert Schoch’s re-dating of the Sphinx, this book serves as a compelling introduction to the true history of alternative and New Science research.
Author: Gilbert Newton Lewis
Publisher:
ISBN:
Category : Chemistry, Physical and theoretical
Languages : en
Pages : 690
Get Book Here
Book Description
The scope of thermodynamics. Definitions; the concept of equilibrium. Conventions and mathematical methods. Solutions. The first law of thermodynamics and the concept of energy. The fugacity. Application of the second law to solutions. The perfect solution. The laws of the dilute solution. Systems involving variables other than pressure, temperature and composition. A useful function, called the activity, and its application to solutions. Change of activity with the temperature, and the calculation of activity from freezing points. The standard change of free energy; the equilibrium constant. Solutions of electrolytes. The activity of strong electrolytes. The activity of electrolytes from freezing point data, and tables of activity coefficients. Activity coefficient in mixed electrolytes; the principle of the ionic strength; the activity of individual ions. The galvanic cell. Single potentials; standard electrode potentials of the elements. The third law of thermodynamics. The entropy of monatomic gases and a table of atomic entropies. Introduction to systematic free energy calculations: the free energy of elementary hydrogen and metallic hydrides. Oxygen and its compouns with hydrogen and with some metals. Chlorine and its compouns. Bromine and its compounds. Iodine and its compounds. Nitrogen compounds. Carbon and some of its compounds. Compounds of carbon and nitrogen. Table of free energies; and examples illustrating its use. Conversion table for mol fractions, mol ratios and molities. Some useful numerical factors. Coefficients employed in converting activity, equilibrium constant and free energy from one temperature to another. Publications by the authrs, pertaining to thermodynamics.
Author: Thomas B. Reed
Publisher:
ISBN:
Category : Thermochemistry
Languages : en
Pages : 81
Get Book Here
Book Description
Author: Andrew Williams
Publisher: Royal Society of Chemistry
ISBN: 9780854046768
Category : Education
Languages : en
Pages : 316
Get Book Here
Book Description
Introducing the application of free energy correlations to elucidating the mechanisms of organic and bio-organic reactions, this book provides a new and illuminating way of approaching a potentially complex topic. The idea of how free energy correlations derive from polar substituent change is introduced, and common pitfalls encountered in the application of free energy relationships are described, along with the use of these anomalies in mechanistic studies. The concept of effective charge is described in detail, with examples of its application. Throughout, worked answers are provided for the problems posed. Databases of parameters, an extensive bibliography and comprehensive lists of further reading are also included. The text provides an invaluable source of information to senior undergraduates, postgraduates and to industrial researchers with an interest in mechanistic studies. It is the first such book in more than thirty years.
Author: Paul Flowers
Publisher:
ISBN: 9781947172623
Category : Chemistry
Languages : en
Pages : 0
Get Book Here
Book Description
Chemistry 2e is designed to meet the scope and sequence requirements of the two-semester general chemistry course. The textbook provides an important opportunity for students to learn the core concepts of chemistry and understand how those concepts apply to their lives and the world around them. The book also includes a number of innovative features, including interactive exercises and real-world applications, designed to enhance student learning. The second edition has been revised to incorporate clearer, more current, and more dynamic explanations, while maintaining the same organization as the first edition. Substantial improvements have been made in the figures, illustrations, and example exercises that support the text narrative. Changes made in Chemistry 2e are described in the preface to help instructors transition to the second edition.
Author: Theo Paijmans
Publisher: Adventures Unlimited Press
ISBN: 9781931882330
Category : Art
Languages : en
Pages : 476
Get Book Here
Book Description
Takes readers on a journey through the free-energy research underground and the secret traditions of Occult Technology, focusing on the inventions of John Worrell Keely, the world's free-energy pioneer.
