Modelling Molecular Structures

Alan Hinchliffe (Autor)

Buch | Hardcover

354 Seiten

2000 | 2nd Revised edition
John Wiley & Sons Ltd (Verlag)
978-0-471-62380-9 (ISBN)

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Molecular modelling is the application of mathematical models to molecules in order to study their structure. This textbook gives many examples using software, and covers the development of molecular modelling to give a historical perspective.

The application of mathematical models to molecules has now reached maturity. Scientists as diverse as astrophysicists, biologists, chemists, materials scientists and zoologists can reach for their PC, Mac or laptop to model molecular phenomena of unbelievable complexity. Following the highly successful first edition of Modelling Molecular Structures, this newly updated edition is your guide through the myriad of applications for molecular modelling. This easy-to-read, highly illustrated text covers all areas of molecular modelling, including molecular dynamics, quantum mechanics, and the Hartree-Fock self-consistent field model, providing background information and critically discussing the latest techniques in the field. Covering developments in the field since the first publication, this title also includes updated text and new material on: Molecular Dynamics Dealing with the Solvent This title is an indispensable introduction for all chemists, materials scientists, molecular biologists, and researchers working in, and interested in, the field of molecular modelling.

Alan Hinchliffe Department of Chemistry, UMIST, Manchester, UK

Prerequisites; Molecular Mechanics; Dynamics; The Hydrogen Molecule Ion; The Hydrogen Molecule; The Electron Density; The Hartree-Fock Model; The Huckel Model; Neglect of Differential Overlap Models; Basis Sets; Ab Initio Packages; Electron Correlation; Slater's Xalpha Model; Density Functional Therory; Potential Energy Surfaces; Dealing with the Solvent; Primary Properties and their Derivatives; Induced Properties; Miscellany; References; Index

Erscheint lt. Verlag	26.7.2000
Reihe/Serie	Wiley Series in Theoretical Chemistry
Zusatzinfo	Illustrations
Verlagsort	Chichester
Sprache	englisch
Maße	167 x 235 mm
Gewicht	630 g
Einbandart	gebunden
Themenwelt	Informatik ► Grafik / Design ► Digitale Bildverarbeitung
	Mathematik / Informatik ► Mathematik ► Angewandte Mathematik
	Naturwissenschaften ► Biologie ► Genetik / Molekularbiologie
	Naturwissenschaften ► Chemie ► Physikalische Chemie
	Naturwissenschaften ► Physik / Astronomie ► Atom- / Kern- / Molekularphysik
ISBN-10	0-471-62380-6 / 0471623806
ISBN-13	978-0-471-62380-9 / 9780471623809
Zustand	Neuware