Computational Chemistry And Molecular Modeling PDF Download
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Author | : K. I. Ramachandran |
Publisher | : Springer Science & Business Media |
Total Pages | : 405 |
Release | : 2008-05-20 |
Genre | : Science |
ISBN | : 3540773045 |
Download Computational Chemistry and Molecular Modeling Book in PDF, ePub and Kindle
The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It provides in one comprehensive volume the in-depth theoretical background for molecular modeling and detailed descriptions of the applications in chemistry and related fields like drug design, molecular sciences, biomedical, polymer and materials engineering. Special chapters on basic mathematics and the use of respective software tools are included. Numerous numerical examples, exercises and explanatory illustrations as well as a web site with application tools (http://www.amrita.edu/cen/ccmm) support the students and lecturers.
Author | : K. I. Ramachandran |
Publisher | : Springer Science & Business Media |
Total Pages | : 405 |
Release | : 2008-06-13 |
Genre | : Science |
ISBN | : 3540773029 |
Download Computational Chemistry and Molecular Modeling Book in PDF, ePub and Kindle
The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It provides in one comprehensive volume the in-depth theoretical background for molecular modeling and detailed descriptions of the applications in chemistry and related fields like drug design, molecular sciences, biomedical, polymer and materials engineering. Special chapters on basic mathematics and the use of respective software tools are included. Numerous numerical examples, exercises and explanatory illustrations as well as a web site with application tools (http://www.amrita.edu/cen/ccmm) support the students and lecturers.
Author | : K. I. Ramachandran |
Publisher | : Springer |
Total Pages | : 0 |
Release | : 2010-10-19 |
Genre | : Science |
ISBN | : 9783642095986 |
Download Computational Chemistry and Molecular Modeling Book in PDF, ePub and Kindle
The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It provides in one comprehensive volume the in-depth theoretical background for molecular modeling and detailed descriptions of the applications in chemistry and related fields like drug design, molecular sciences, biomedical, polymer and materials engineering. Special chapters on basic mathematics and the use of respective software tools are included. Numerous numerical examples, exercises and explanatory illustrations as well as a web site with application tools (http://www.amrita.edu/cen/ccmm) support the students and lecturers.
Author | : Jan H. Jensen |
Publisher | : CRC Press |
Total Pages | : 192 |
Release | : 2010-04-26 |
Genre | : Science |
ISBN | : 1420075276 |
Download Molecular Modeling Basics Book in PDF, ePub and Kindle
Molecular modeling is becoming an increasingly important part of chemical research and education as computers become faster and programs become easier to use. The results, however, have not become easier to understand. Addressing the need for a "workshop-oriented" book, Molecular Modeling Basics provides the fundamental theory needed to understand
Author | : William B. Smith |
Publisher | : Wiley-VCH |
Total Pages | : 216 |
Release | : 1996-07-11 |
Genre | : Science |
ISBN | : |
Download Introduction to Theoretical Organic Chemistry and Molecular Modelling Book in PDF, ePub and Kindle
"Introduction to Theoretical Organic Chemistry" provides an introduction for chemists with a limited mathematical background, yet need a working understanding of quantum chemistry as applied to problems in organic chemistry. This book is unique in that it is written at the level of the advanced undergraduate or beginning graduate student in organic chemistry, whose exposure to theoretical chemistry is relatively recent. It fills a niche in that most books on theoretical organic chemistry are written by theoretical or computational chemists, whereas this book is written by an organic chemist. The book covers molecular modeling computer software, and offers a useful guide to the scope and limitations of each program, along with specific examples of input and output for several of the most popular software. Numerous examples and exercises are provided.
Author | : Sonsoles Martín-Santamaría |
Publisher | : Royal Society of Chemistry |
Total Pages | : 392 |
Release | : 2017-11-01 |
Genre | : Science |
ISBN | : 1782627006 |
Download Computational Tools for Chemical Biology Book in PDF, ePub and Kindle
This book offers a fresh perspective on how computational tools can aid the chemical biology research community and drive new research.
Author | : Christopher J. Cramer |
Publisher | : John Wiley & Sons |
Total Pages | : 624 |
Release | : 2013-04-29 |
Genre | : Science |
ISBN | : 1118712277 |
Download Essentials of Computational Chemistry Book in PDF, ePub and Kindle
Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject. Suitable for both experimentalists and theorists, a wide range of samples and applications are included drawn from all key areas. The book carefully leads the reader thorough the necessary equations providing information explanations and reasoning where necessary and firmly placing each equation in context.
Author | : Errol G. Lewars |
Publisher | : Springer Science & Business Media |
Total Pages | : 474 |
Release | : 2007-05-08 |
Genre | : Science |
ISBN | : 0306483912 |
Download Computational Chemistry Book in PDF, ePub and Kindle
Computational chemistry has become extremely important in the last decade, being widely used in academic and industrial research. Yet there have been few books designed to teach the subject to nonspecialists. Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics is an invaluable tool for teaching and researchers alike. The book provides an overview of the field, explains the basic underlying theory at a meaningful level that is not beyond beginners, and it gives numerous comparisons of different methods with one another and with experiment. The following concepts are illustrated and their possibilities and limitations are given: - potential energy surfaces; - simple and extended Hückel methods; - ab initio, AM1 and related semiempirical methods; - density functional theory (DFT). Topics are placed in a historical context, adding interest to them and removing much of their apparently arbitrary aspect. The large number of references, to all significant topics mentioned, should make this book useful not only to undergraduates but also to graduate students and academic and industrial researchers.
Author | : |
Publisher | : Elsevier |
Total Pages | : 487 |
Release | : 2003-11-25 |
Genre | : Business & Economics |
ISBN | : 0080530907 |
Download Energetic Materials Book in PDF, ePub and Kindle
This volume provides an overview of current research and recent advances in the area of energetic materials, focusing on decomposition, crystal and molecular properties. The contents and format reflect the fact that theory, experiment and computation are closely linked in this field. Since chemical decomposition is of fundamental importance in energetic performance, this volume begins with a survey of the decomposition processes of a variety of energetic compounds. This is followed by detailed studies of certain compounds and specific mechanisms, such as nitro/aci-nitro tautomerism. Chapter 6 covers the transition from decomposition to crystal properties, with molecular dynamics being the primary analytical tool. The next several chapters deal with different aspects of the crystalline state, again moving from the general to particular. There is also a discussion of methods for computing gas, liquid and solid phase heats of formation. Finally, the last portion of this volume looks at the potential of high-nitrogen molecules as energetic systems; this has been of considerable interest in recent years.Overall, this volume illustrates the progress that has been made in the field of energetic materials and some of the areas of current activity. It also indicates the challenges involved in characterizing and understanding the properties and behaviour of these compounds. The work is a unique state-of-the-art treatment of the subject, written by pre-eminent researchers in the field. - Overall emphasis is on theory and computation, presented in the context of relevant experimental work- Presents a unique state-of-the-art treatment of the subject- Contributors are preeminent researchers in the field
Author | : Alan Hinchliffe |
Publisher | : John Wiley & Sons |
Total Pages | : 369 |
Release | : 2011-08-17 |
Genre | : Science |
ISBN | : 1119964814 |
Download Molecular Modelling for Beginners Book in PDF, ePub and Kindle
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.