| Description |
152 pages : illustrations (chiefly color) ; 27 cm + 1 CD-ROM (4 3/4 in.) |
|
4 3/4 in |
| Series |
The Molecular World ; S205 Book 6 |
|
Molecular world ; S205 Book 6
|
| Contents |
1. Introduction -- 2. Molecular mechanics -- 3. Quantum chemistry of atoms -- 4. Molecular orbitals -- 5. Polyatomic molecules -- 6. Symmetry and molecular orbital calculations -- 7. Calculations in practice -- 8. Bonding in solids -- Learning outcomes -- Questions: answers and comments -- Further reading -- Case study. Molecular modelling in reational drug design / Guy Grand and Elaine Moore. 1. Introduction; 2. Structure-based methods for unknown drug active sites; 3. Methods for known active sites; 4. Examples of structure-based design; 5. The future |
| Summary |
Why do molecules adopt particular shapes? What determines the physical and chemical properties of a material? Molecular Modelling and Bonding answers these questions by introducing the ideas behind molecular and quantum mechanics, using a largely non-mathematical approach. Atomic and molecular orbitals, computational chemistry and bonding in solids are also discussed. A Case Study, Molecular Modelling in Drug Design, explores ways in which computer modelling, in conjunction with experimental techniques, is used to design new drugs. The accompanying CD-ROM illustrates applications of molecular and quantum mechanics, and includes many of the structures and orbitals illustrated in the text. It provides the programs necessary to view orbitals and 3D structures. The Molecular World series provides an integrated introduction to all branches of chemistry for both students wishing to specialise and those wishing to gain a broad understanding of chemistry and its relevance to the everyday world and to other areas of science |
| Notes |
Published in association with the Open University |
| Bibliography |
Includes bibliographical references and index |
| Notes |
System requirements: Pentium 400 MHz or compatible processor; Windows 95/98/Me/2000/XP; 32 MB RAM; 100 MB hard disk free space; 800 x 600 video resolution at 16-bit color; 8x CD-ROM; Windows compatible sound card and speakers |
|
Online resource; title from title screen (viewed Apr. 21, 2008) |
| Subject |
Molecules -- Mathematical models.
|
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Chemical bonds.
|
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Molecules -- Models.
|
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Molecular structure.
|
| Author |
Moore, Elaine (Elaine A.)
|
|
Royal Society of Chemistry (Great Britain)
|
|
Open University.
|
| LC no. |
2005482127 |
| ISBN |
0854046755 |
|
