Download or read book The Elements of Molecular Mechanics written by Joseph Bayma and published by . This book was released on 1866 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Elements Molecular Mechanics written by Joseph Bayma and published by . This book was released on 2019 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book The Elements of Molecular Mechanics written by Joseph Bayma and published by . This book was released on 1866 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book The Elements of Molecular Mechanics written by Joseph Bayma and published by Andesite Press. This book was released on 2015-08-11 with total page 308 pages. Available in PDF, EPUB and Kindle. Book excerpt: This work has been selected by scholars as being culturally important, and is part of the knowledge base of civilization as we know it. This work was reproduced from the original artifact, and remains as true to the original work as possible. Therefore, you will see the original copyright references, library stamps (as most of these works have been housed in our most important libraries around the world), and other notations in the work. This work is in the public domain in the United States of America, and possibly other nations. Within the United States, you may freely copy and distribute this work, as no entity (individual or corporate) has a copyright on the body of the work.As a reproduction of a historical artifact, this work may contain missing or blurred pages, poor pictures, errant marks, etc. Scholars believe, and we concur, that this work is important enough to be preserved, reproduced, and made generally available to the public. We appreciate your support of the preservation process, and thank you for being an important part of keeping this knowledge alive and relevant.
Download or read book Molecular Mechanics Across Chemistry written by Anthony K. Rappé and published by University Science Books. This book was released on 1997-05-07 with total page 480 pages. Available in PDF, EPUB and Kindle. Book excerpt: The remarkable breadth of modern molecular mechanics is covered in this textbook, developed for an undergraduate or first-time course on molecular mechanics. With applications ranging from drug design to homogeneous transition metal catalysis, the book implements a case-study approach designed to give readers exposure to the relevance and utility of molecular mechanics, as well as the opportunity to study a particular problem and its solution in depth.
Download or read book The Principles of Chemistry and Molecular Mechanics written by Gustavus Detlef Hinrichs and published by . This book was released on 1874 with total page 236 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book The Elements Molecular Mechanics written by Joseph Bayma and published by Forgotten Books. This book was released on 2015-06-26 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: Excerpt from The Elements Molecular Mechanics Here it suffices to say in general that my intention has been to open a path into a region of science hitherto deemed inaccessible, to the exploration of which scientific men of the present day are anxiously looking forward. May I entertain the hope that my readers, considering the difficulty of the task before me, will receive this volume with indulgence, and be disposed to judge of it by the amount of useful matter it actually contains rather than by any deficiency in the development of the subject. About the Publisher Forgotten Books publishes hundreds of thousands of rare and classic books. Find more at www.forgottenbooks.com This book is a reproduction of an important historical work. Forgotten Books uses state-of-the-art technology to digitally reconstruct the work, preserving the original format whilst repairing imperfections present in the aged copy. In rare cases, an imperfection in the original, such as a blemish or missing page, may be replicated in our edition. We do, however, repair the vast majority of imperfections successfully; any imperfections that remain are intentionally left to preserve the state of such historical works.
Download or read book A Guide to Molecular Mechanics and Quantum Chemical Calculations written by Warren J. Hehre and published by . This book was released on 2003 with total page 796 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book The Elements of Molecular Mechanics Primary Source Edition written by Joseph Bayma and published by Nabu Press. This book was released on 2014-02-12 with total page 308 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is a reproduction of a book published before 1923. This book may have occasional imperfections such as missing or blurred pages, poor pictures, errant marks, etc. that were either part of the original artifact, or were introduced by the scanning process. We believe this work is culturally important, and despite the imperfections, have elected to bring it back into print as part of our continuing commitment to the preservation of printed works worldwide. We appreciate your understanding of the imperfections in the preservation process, and hope you enjoy this valuable book.
Download or read book Molecular Structure written by Norman L. Allinger and published by John Wiley & Sons. This book was released on 2010-12-15 with total page 356 pages. Available in PDF, EPUB and Kindle. Book excerpt: A guide to analyzing the structures and properties of organic molecules Until recently, the study of organic molecules has traveled down two disparate intellectual paths—the experimental, or physical, method and the computational, or theoretical, method. Working somewhat independently of each other, these disciplines have guided research for decades, but they are now being combined efficiently into one unified strategy. Molecular Structure delivers the essential fundamentals on both the experimental and computational methods, then goes further to show how these approaches can join forces to produce more effective analysis of the structure and properties of organic compounds by: Looking at experimental structures: electron, neutron, X-ray diffraction, and microwave spectroscopy as well as computational structures: ab initio, semi-empirical molecular orbital, and molecular mechanics calculations Discussing various electronic effects, particularly stereoelectronic effects, including hyperconjugation, negative hyperconjugation, the Bohlmann and anomeric effects, and how and why these cause changes in structures and properties of molecules Illustrating complex carbohydrate effects such as the gauche effect, the delta-two effect, and the external anomeric torsional effect Covering hydrogen bonding, the CH bond, and how energies, especially heats of formation, can be affected Using molecular mechanics to tie all of these things together in the familiar language of the organic chemist, valence bond pictures Authored by a founding father of computational chemistry, Molecular Structure broadens the scope of the subject by serving as a pioneering guide for workers in the fields of organic, biological, and computational chemistry, as they explore new possibilities to advance their discoveries. This work will also be of interest to many of those in tangential or dependent fields, including medicinal and pharmaceutical chemistry and pharmacology.
Download or read book Understanding Molecular Simulation written by Daan Frenkel and published by Elsevier. This book was released on 2001-10-19 with total page 661 pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text. Since the first edition only five years ago, the simulation world has changed significantly -- current techniques have matured and new ones have appeared. This new edition deals with these new developments; in particular, there are sections on: Transition path sampling and diffusive barrier crossing to simulaterare events Dissipative particle dynamic as a course-grained simulation technique Novel schemes to compute the long-ranged forces Hamiltonian and non-Hamiltonian dynamics in the context constant-temperature and constant-pressure molecular dynamics simulations Multiple-time step algorithms as an alternative for constraints Defects in solids The pruned-enriched Rosenbluth sampling, recoil-growth, and concerted rotations for complex molecules Parallel tempering for glassy Hamiltonians Examples are included that highlight current applications and the codes of case studies are available on the World Wide Web. Several new examples have been added since the first edition to illustrate recent applications. Questions are included in this new edition. No prior knowledge of computer simulation is assumed.
Download or read book Molecular Mechanics written by Ulrich Burkert and published by . This book was released on 1982 with total page 364 pages. Available in PDF, EPUB and Kindle. Book excerpt: This comprehensive volume gives a complete description of the basic principles and techniques of molecular mechanics calculations. In addition, the present areas and limitations of usefulness of such calculations are outlined. The first half of this book deals with force fields and methods used for geometry optimization. The remainder of the nine chapters not only gives a compilation of reported calculations but also discusses stereochemical data from experimental sources. Essential for organic chemists but also of interest to inorganic chemists and biochemists.
Download or read book Molecular Quantum Mechanics written by Peter W. Atkins and published by Oxford University Press. This book was released on 2011 with total page 552 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text unravels those fundamental physical principles which explain how all matter behaves. It takes us from the foundations of quantum mechanics, through quantum models of atomic, molecular, and electronic structure, and on to discussions of spectroscopy, and the electronic and magnetic properties of molecules.
Download or read book Molecular Physics and Elements of Quantum Chemistry written by Hermann Haken and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 412 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook introduces the molecular and quantum chemistry needed to understand the physical properties of molecules and their chemical bonds. It follows the authors' earlier textbook "The Physics of Atoms and Quanta" and presents both experimental and theoretical fundamentals for students in physics and physical and theoretical chemistry. The new edition treats new developments in areas such as high-resolution two-photon spectroscopy, ultrashort pulse spectroscopy, photoelectron spectroscopy, optical investigation of single molecules in condensed phase, electroluminescence, and light-emitting diodes.
Download or read book Understanding Properties of Atoms Molecules and Materials written by Pranab Sarkar and published by CRC Press. This book was released on 2022-02-17 with total page 433 pages. Available in PDF, EPUB and Kindle. Book excerpt: In a technology driven civilization the quest for new and smarter materials is everlasting. They are required as platforms for developing new technologies or for improving an already existing technology. The discovery of a new material is no longer chance driven or accidental, but is based on careful reasoning structured by deep understanding of the microconstituents of materials - the atoms and molecules in isolation or in an assembly. That requires fair amount of exposure to quantum and statistical mechanics. `Understanding Properties of Atoms, Molecules and Materials' is an effort (perhaps the first ever) to bring all the necessary theoretical ingredients and relevant physical information in a single volume. The book introduces the readers (first year graduates) or researchers in material chemistry/engineering to elementary quantum mechanics of atoms, molecules and solids and then goes on to make them acquainted with methods of statistical mechanics (classical as well as quantum) along with elementary principles of classical MD simulation. The basic concepts are introduced with clarity and illustrated with easy to grasp examples, thus preparing the readers for an exploration through the world of materials - the exotic and the mundane. The emphasis has been on the phenomena and what shapes them at the fundamental level. A comprehensive description of modern designing principles for materials with examples is a unique feature of the book. The highlights of the book are comprehensive introduction and analysis of Quantum states of atoms and molecules The translational symmetry and quantum states in periodic and amorphous solids Band structure and tuning Classical and quantum statistics with applications to ideal gases (photons, phonons and electrons, molecules) Quantum states in type-I and type-II superconductors (elementary theory included) Magnetic materials, materials with GMR and CMR Shape memory effects in alloys and materials 2D materials (graphene and graphene analogus) NLO and photovoltaic materials Hydrogen storage material for mitigating the looming energy crisis Quantum states in low and high band gap semiconductors Semimetals Designer materials, etc. The volume is designed and organized to create interest in the science of materials and the silent revolution that is redefining the goals and boundaries of materials science continuously.
Download or read book Methods of Molecular Quantum Mechanics written by Valerio Magnasco and published by John Wiley & Sons. This book was released on 2009-10-29 with total page 299 pages. Available in PDF, EPUB and Kindle. Book excerpt: Methods of Molecular Quantum Mechanics This advanced text introduces to the advanced undergraduate and graduate student the mathematical foundations of the methods needed to carry out practical applications in electronic molecular quantum mechanics, a necessary preliminary step before using commercial programmes to carry out quantum chemistry calculations. Major features of the book include: Consistent use of the system of atomic units, essential for simplifying all mathematical formulae Introductory use of density matrix techniques for interpreting properties of many-body systems An introduction to valence bond methods with an explanation of the origin of the chemical bond A unified presentation of basic elements of atomic and molecular interactions The book is intended for advanced undergraduate and first-year graduate students in chemical physics, theoretical and quantum chemistry. In addition, it is relevant to students from physics and from engineering sub-disciplines such as chemical engineering and materials sciences.
Download or read book Advanced Molecular Dynamics and Chemical Kinetics written by Gert Due Billing and published by Wiley-Interscience. This book was released on 1997-04-11 with total page 316 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
