Molecular modelling and bonding

edited by Elaine Moore

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. The books, with their Case Studies and accompanying multi-media interactive CD-ROMs, will also provide valuable resource material for teachers and lecturers. (The CD-ROMs are designed for use on a PC running Windows 95, 98, ME or 2000.)

「Nielsen BookData」より


  • Introduction
  • Molecular Mechanics
  • Quantum Chemistry of Atoms
  • Molecular Orbitals
  • Polyatomic Molecules
  • Symmetry and Molecular Orbital Calculations
  • Calculations in Practice
  • Bonding in Solids
  • Case Study: Molecular Modelling in Rational Drug Design.

「Nielsen BookData」より


書名 Molecular modelling and bonding
著作者等 Moore, Elaine
Open University
Royal Society of Chemistry
Clark Giles
Smart Lesley E.
Moore E.A.
シリーズ名 The molecular world
出版元 Royal Society of Chemistry
刊行年月 2002
ページ数 152 p., 1 folded leaf
大きさ 27 cm
付随資料 CD-ROM
ISBN 0854046755
NCID BA59364125
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言語 英語
出版国 イギリス