Molecular Modeling Of Inorganic Compounds

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Molecular Modeling of Inorganic Compounds

Author : Peter Comba
Publisher : John Wiley & Sons
ISBN 13 : 3527612998
Total Pages : 337 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Molecular Modeling of Inorganic Compounds by : Peter Comba

Download or read book Molecular Modeling of Inorganic Compounds written by Peter Comba and published by John Wiley & Sons. This book was released on 2008-07-11 with total page 337 pages. Available in PDF, EPUB and Kindle. Book excerpt: In many branches of chemistry, Molecular Modeling is a well-established and powerful tool for the investigation of complex structures. The second completely revised and enlarged edition of this highly recognized book shows how this method can be successfully applied to inorganic and coordination compounds. The first part of the book gives a general introduction to Molecular Modeling, which will be of use for chemists in all areas. The second part discusses numerous carefully selected examples, chosen to illustrate the wide range of applicability of molecular modeling to metal complexes and the approaches being taken to dealing with some of the difficulties involved. While the general outline is similar to that of the first edition, many of the examples chosen for discussion reflect the changes of the past five years. In the third part, the reader learns how to apply Molecular Modeling to a new system and how to interpret the results. The accompanying software features 20 tutorial lessons based on examples from the literature and the book itself. The authors take special care to highlight possible pitfalls and offer advice on how to avoid them. Therefore, this book will be invaluable to everyone working in or entering the field.

Molecular Modeling of Inorganic Compounds

Author : Trevor W. Hambley
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (733 download)

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Book Synopsis Molecular Modeling of Inorganic Compounds by : Trevor W. Hambley

Download or read book Molecular Modeling of Inorganic Compounds written by Trevor W. Hambley and published by . This book was released on 2009 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: After the second edition introduced first density functional theory aspects, this third edition expands on this topic and offers unique practice in molecular mechanics calculations and DFT. In addition, the tutorial with its interactive exercises has been completely revised and uses the very latest software, a full version of which is enclosed on CD, allowing readers to carry out their own initial experiments with forcefield calculations in organometal and complex chemistry.

Molecular Modeling of Inorganic Compounds

Author : Peter Comba
Publisher : John Wiley & Sons
ISBN 13 : 3527628134
Total Pages : 344 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Molecular Modeling of Inorganic Compounds by : Peter Comba

Download or read book Molecular Modeling of Inorganic Compounds written by Peter Comba and published by John Wiley & Sons. This book was released on 2009-07-10 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt: After the second edition introduced first density functional theory aspects, this third edition expands on this topic and offers unique practice in molecular mechanics calculations and DFT. In addition, the tutorial with its interactive exercises has been completely revised and uses the very latest software, a full version of which is enclosed on CD, allowing readers to carry out their own initial experiments with forcefield calculations in organometal and complex chemistry.

Molecular Modeling of Inorganic Compounds

Author : Peter Comba
Publisher : Wiley-VCH
ISBN 13 :
Total Pages : 216 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Molecular Modeling of Inorganic Compounds by : Peter Comba

Download or read book Molecular Modeling of Inorganic Compounds written by Peter Comba and published by Wiley-VCH. This book was released on 1995-09-13 with total page 216 pages. Available in PDF, EPUB and Kindle. Book excerpt: An introduction to the field of molecular modelling of inorganic compounds, which should be of interest to medicinal, inorganic, co-ordination and theoretical chemists. The book provides reliable calculations of stereo-selective interactions of metal complexes with biomolecules

Molecular Visions (Organic, Inorganic, Organometallic) Molecular Model Kit #1 by Darling Models to accompany Organic Chemistry

Author : Darling Models
Publisher : McGraw-Hill Education
ISBN 13 : 9780964883710
Total Pages : 0 pages
Book Rating : 4.8/5 (837 download)

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Book Synopsis Molecular Visions (Organic, Inorganic, Organometallic) Molecular Model Kit #1 by Darling Models to accompany Organic Chemistry by : Darling Models

Download or read book Molecular Visions (Organic, Inorganic, Organometallic) Molecular Model Kit #1 by Darling Models to accompany Organic Chemistry written by Darling Models and published by McGraw-Hill Education. This book was released on 2000-04-07 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular models are as vital a tool for the study of chemistry as calculators are for the study of mathematics. Molecular Visions models may be assembled in infinite combinations enabling the user to construct not only familiar configurations but also undiscovered possibilities. Models are intended to inspire the imagination, stimulate thought, and assist the visualization process. They present the user with a solid form of an abstract object that can otherwise only be visualized by the chemist. While chemistry textbooks use letters and graphics to describe molecules, molecular models make them "real". MOLECULAR VISIONS Organic Kit #1 is in a green plastic box, 9"x4"x2"

Molecular Modeling Kit to accompany Organic Chemistry, 7e

Author : T. W. Graham Solomons
Publisher : Wiley
ISBN 13 : 9780471362715
Total Pages : 0 pages
Book Rating : 4.3/5 (627 download)

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Book Synopsis Molecular Modeling Kit to accompany Organic Chemistry, 7e by : T. W. Graham Solomons

Download or read book Molecular Modeling Kit to accompany Organic Chemistry, 7e written by T. W. Graham Solomons and published by Wiley. This book was released on 1999-08-11 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Manufactured by Darling Model Kits, this custom kit was designed by T.W.Graham Solomons. The kit consists of Darling's basic Molecular Vision kit with a few additional pieces, so that p orbitals could be shown in molecules like acetylene. This customized kit also has pieces that allow linear geometry for the sigma bonds of alkynes while also having orthogonal connections at each atom for the associated p orbitals. By attaching balls of the right colors it is possible to show the lobes of the p orbitals that make up the pi bonds in an alkyne. Ball colors can be matched symmetrically to show in-phase orbital overlap, or antisymmetrically to show an antibonding state. Use of colored balls with the appropriate framework geometry is a very nice feature of the Darling model set. Pieces from Darling's inorganic model set and are used for octahedral geometry.

Molecular Mechanics Across Chemistry

Author : Anthony K. Rappé
Publisher : University Science Books
ISBN 13 : 9780935702774
Total Pages : 480 pages
Book Rating : 4.7/5 (27 download)

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Book Synopsis Molecular Mechanics Across Chemistry by : Anthony K. Rappé

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.

Modeling of Molecular Properties

Author : Peter Comba
Publisher : John Wiley & Sons
ISBN 13 : 3527636412
Total Pages : 515 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Modeling of Molecular Properties by : Peter Comba

Download or read book Modeling of Molecular Properties written by Peter Comba and published by John Wiley & Sons. This book was released on 2011-10-05 with total page 515 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular modeling encompasses applied theoretical approaches and computational techniques to model structures and properties of molecular compounds and materials in order to predict and / or interpret their properties. The modeling covered in this book ranges from methods for small chemical to large biological molecules and materials. With its comprehensive coverage of important research fields in molecular and materials science, this is a must-have for all organic, inorganic and biochemists as well as materials scientists interested in applied theoretical and computational chemistry. The 28 chapters, written by an international group of experienced theoretically oriented chemists, are grouped into four parts: Theory and Concepts; Applications in Homogeneous Catalysis; Applications in Pharmaceutical and Biological Chemistry; and Applications in Main Group, Organic and Organometallic Chemistry. The various chapters include concept papers, tutorials, and research reports.

Molecular Modelling for Beginners

Author : Alan Hinchliffe
Publisher : John Wiley & Sons
ISBN 13 : 1119964814
Total Pages : 369 pages
Book Rating : 4.1/5 (199 download)

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Book Synopsis Molecular Modelling for Beginners by : Alan Hinchliffe

Download or read book Molecular Modelling for Beginners written by Alan Hinchliffe and published by John Wiley & Sons. This book was released on 2011-08-17 with total page 369 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Principles of Inorganic Chemistry

Author : Brian W. Pfennig
Publisher : John Wiley & Sons
ISBN 13 : 1118859103
Total Pages : 761 pages
Book Rating : 4.1/5 (188 download)

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Book Synopsis Principles of Inorganic Chemistry by : Brian W. Pfennig

Download or read book Principles of Inorganic Chemistry written by Brian W. Pfennig and published by John Wiley & Sons. This book was released on 2015-03-30 with total page 761 pages. Available in PDF, EPUB and Kindle. Book excerpt: Aimed at senior undergraduates and first-year graduate students, this book offers a principles-based approach to inorganic chemistry that, unlike other texts, uses chemical applications of group theory and molecular orbital theory throughout as an underlying framework. This highly physical approach allows students to derive the greatest benefit of topics such as molecular orbital acid-base theory, band theory of solids, and inorganic photochemistry, to name a few. Takes a principles-based, group and molecular orbital theory approach to inorganic chemistry The first inorganic chemistry textbook to provide a thorough treatment of group theory, a topic usually relegated to only one or two chapters of texts, giving it only a cursory overview Covers atomic and molecular term symbols, symmetry coordinates in vibrational spectroscopy using the projection operator method, polyatomic MO theory, band theory, and Tanabe-Sugano diagrams Includes a heavy dose of group theory in the primary inorganic textbook, most of the pedagogical benefits of integration and reinforcement of this material in the treatment of other topics, such as frontier MO acid--base theory, band theory of solids, inorganic photochemistry, the Jahn-Teller effect, and Wade's rules are fully realized Very physical in nature compare to other textbooks in the field, taking the time to go through mathematical derivations and to compare and contrast different theories of bonding in order to allow for a more rigorous treatment of their application to molecular structure, bonding, and spectroscopy Informal and engaging writing style; worked examples throughout the text; unanswered problems in every chapter; contains a generous use of informative, colorful illustrations

The Chemical Bond in Inorganic Chemistry

Author : Ian David Brown
Publisher : Oxford University Press on Demand
ISBN 13 : 0198508700
Total Pages : 289 pages
Book Rating : 4.1/5 (985 download)

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Book Synopsis The Chemical Bond in Inorganic Chemistry by : Ian David Brown

Download or read book The Chemical Bond in Inorganic Chemistry written by Ian David Brown and published by Oxford University Press on Demand. This book was released on 2002 with total page 289 pages. Available in PDF, EPUB and Kindle. Book excerpt: The bond valence model is a recently developed model of the chemical bond in inorganic chemistry that complements the bond model widely used in organic chemistry. It is simple, quantitative, intuitive, and predictive - no more than a pocket calculator is needed to calculate it. This book focuses on the theory that underlies the model, and shows how it has been used in physics, materials science, chemistry, mineralogy, soil science, and molecular biology.

Molecular Modeling Basics

Author : Jan H. Jensen
Publisher : CRC Press
ISBN 13 : 1420075276
Total Pages : 192 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis Molecular Modeling Basics by : Jan H. Jensen

Download or read book Molecular Modeling Basics written by Jan H. Jensen and published by CRC Press. This book was released on 2010-04-26 with total page 192 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Molecular Shapes

Author : Jeremy K. Burdett
Publisher : John Wiley & Sons
ISBN 13 :
Total Pages : 316 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Molecular Shapes by : Jeremy K. Burdett

Download or read book Molecular Shapes written by Jeremy K. Burdett and published by John Wiley & Sons. This book was released on 1980 with total page 316 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Electrons, Atoms, and Molecules in Inorganic Chemistry

Author : Joseph J. Stephanos
Publisher : Academic Press
ISBN 13 : 012811049X
Total Pages : 762 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis Electrons, Atoms, and Molecules in Inorganic Chemistry by : Joseph J. Stephanos

Download or read book Electrons, Atoms, and Molecules in Inorganic Chemistry written by Joseph J. Stephanos and published by Academic Press. This book was released on 2017-06-01 with total page 762 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electrons, Atoms, and Molecules in Inorganic Chemistry: A Worked Examples Approach builds from fundamental units into molecules, to provide the reader with a full understanding of inorganic chemistry concepts through worked examples and full color illustrations. The book uniquely discusses failures as well as research success stories. Worked problems include a variety of types of chemical and physical data, illustrating the interdependence of issues. This text contains a bibliography providing access to important review articles and papers of relevance, as well as summaries of leading articles and reviews at the end of each chapter so interested readers can readily consult the original literature. Suitable as a professional reference for researchers in a variety of fields, as well as course use and self-study. The book offers valuable information to fill an important gap in the field. Incorporates questions and answers to assist readers in understanding a variety of problem types Includes detailed explanations and developed practical approaches for solving real chemical problems Includes a range of example levels, from classic and simple for basic concepts to complex questions for more sophisticated topics Covers the full range of topics in inorganic chemistry: electrons and wave-particle duality, electrons in atoms, chemical binding, molecular symmetry, theories of bonding, valence bond theory, VSEPR theory, orbital hybridization, molecular orbital theory, crystal field theory, ligand field theory, electronic spectroscopy, vibrational and rotational spectroscopy

Computational Chemistry and Molecular Modeling

Author : K. I. Ramachandran
Publisher : Springer Science & Business Media
ISBN 13 : 3540773045
Total Pages : 405 pages
Book Rating : 4.5/5 (47 download)

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Book Synopsis Computational Chemistry and Molecular Modeling by : K. I. Ramachandran

Download or read book Computational Chemistry and Molecular Modeling written by K. I. Ramachandran and published by Springer Science & Business Media. This book was released on 2008-05-20 with total page 405 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Computational Chemistry and Molecular Modeling

Author : K. I. Ramachandran
Publisher : Springer Science & Business Media
ISBN 13 : 3540773029
Total Pages : 405 pages
Book Rating : 4.5/5 (47 download)

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Book Synopsis Computational Chemistry and Molecular Modeling by : K. I. Ramachandran

Download or read book Computational Chemistry and Molecular Modeling written by K. I. Ramachandran and published by Springer Science & Business Media. This book was released on 2008-06-13 with total page 405 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Chemical Applications of Molecular Modelling

Author : Jonathan M. Goodman
Publisher :
ISBN 13 :
Total Pages : 244 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Chemical Applications of Molecular Modelling by : Jonathan M. Goodman

Download or read book Chemical Applications of Molecular Modelling written by Jonathan M. Goodman and published by . This book was released on 1998 with total page 244 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book explores the molecular modeling, enabling the nonspecialist to appreciate the power as well as the limitations of the computational tools available and giving a background to the methods used and how they were developed. It also provides examples of how molecular modeling has been used to address chemical questions commonly asked by the experimental chemist, and includes practical examples and case studies. 143 illus.