The Elements of Molecular Mechanics PDF Download
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Author: Joseph Bayma
Publisher:
ISBN:
Category : Matter
Languages : en
Pages : 302
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Book Description
Author: Joseph Bayma
Publisher:
ISBN:
Category : Matter
Languages : en
Pages : 302
Get Book
Book Description
Author: Joseph Bayma
Publisher:
ISBN: 9780243632824
Category :
Languages : en
Pages :
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Book Description
Author: Joseph Bayma
Publisher: Legare Street Press
ISBN: 9781017618969
Category : History
Languages : en
Pages : 0
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Book Description
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 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. 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.
Author: Anthony K. Rappé
Publisher: University Science Books
ISBN: 9780935702774
Category : Science
Languages : en
Pages : 480
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Book Description
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.
Author: Joseph Bayma
Publisher:
ISBN:
Category : Matter
Languages : en
Pages : 308
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Book Description
Author: Ulrich Burkert
Publisher:
ISBN:
Category : Science
Languages : en
Pages : 364
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Book Description
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.
Author: Warren J. Hehre
Publisher:
ISBN: 9781890661182
Category : Molecular orbitals
Languages : en
Pages : 796
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Book Description
Author: Raphael D. Levine
Publisher: Courier Corporation
ISBN: 048615064X
Category : Science
Languages : en
Pages : 351
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Book Description
This survey of applications of the theory of collisions and rate processes to molecular problems explores collisions of molecules with internal structure, generalized Ehrenfest theorem, theory of reactive collisions, and role of symmetry. It also reviews partitioning technique, equivalent potentials and quasibound states, theory of direct reactions, more. 1969 edition.
Author: Alan Hinchliffe
Publisher: John Wiley & Sons
ISBN: 1119964814
Category : Science
Languages : en
Pages : 369
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Book Description
A concise, basic introduction to modelling and computational chemistry which focuses on the essentials, including MM, MC, and MD, along with a chapter devoted to QSAR and Discovery Chemistry. Includes supporting website featuring background information, full colour illustrations, questions and answers tied into the text,Visual Basic packages and many realistic examples with solutions Takes a hands-on approach, using state of the art software packages G03/W and/or Hyperchem, Gaussian .gjf files and sample outputs. Revised with changes in emphasis and presentation to appeal to the modern student.
Author: Valerio Magnasco
Publisher: John Wiley & Sons
ISBN: 0470684542
Category : Science
Languages : en
Pages : 299
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Book Description
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.
