Essentials of Computational Chemistry: Theories and Models - Softcover

Cramer, Christopher J

Softcover

ISBN 10: 0471485527 ISBN 13: 9780471485520

Verlag: John Wiley & Sons, 2002

Inhaltsangabe

Ohne Computational Chemistry kommen heutzutage weder Physikochemiker noch Synthetiker oder Analytiker aus. Entsprechend wichtig ist es, diesem Gebiet bereits während des Studiums gebührenden Raum zu widmen. Dieses Lehrbuch hilft vor allem bei der Vermittlung grundlegender Konzepte anhand zahlreicher Beispiele aus der organischen, anorganischen und Biochemie, während die theoretischen und mathematischen Hintergründe weniger ausführlich behandelt werden.

Über diesen Titel

Von der hinteren Coverseite

Essentials of Computational Chemistry, Theories and Models provides an accessible introduction to this fast developing subject. Carefully developed to encourage student understanding, the book begins with a presentation of classical models, gradually moving on to increasingly more complex quantum mechanical and dynamical theories. While recognising that some prerequisite mathematics is needed, the book carefully guides the reader through the key equations, placing each in context, and provides essential background information, together with numerous examples and applications.

Opening with a general introduction to the subject, early emphasis is placed on single-molecule (gas-phase) calculation, followed by a discussion of extensions to condensed-phase media. Primarily focusing on the calculation of equilibrium properties, excited states and reaction dynamics are covered as advanced subjects towards the end of the book.
* An accessible introduction, emphasising basic concepts and applications and including both quantum mechanical and classical mechanical models.
* Coverage and examples from inorganic, organic and biological chemistry
* Numerous examples and applications with selected case studies designed as a basis for classroom discussion
An invaluable asset to all students taking a first course in computational chemistry, molecular modelling, computational quantum chemistry or electronic structure theory. This book will also be of interest to postgraduates, researchers and professionals needing an up-to-date, accessible introduction to this subject.

Aus dem Klappentext

Essentials of Computational Chemistry, Theories and Models provides an accessible introduction to this fast developing subject. Carefully developed to encourage student understanding, the book begins with a presentation of classical models, gradually moving on to increasingly more complex quantum mechanical and dynamical theories. While recognising that some prerequisite mathematics is needed, the book carefully guides the reader through the key equations, placing each in context, and provides essential background information, together with numerous examples and applications.

Opening with a general introduction to the subject, early emphasis is placed on single-molecule (gas-phase) calculation, followed by a discussion of extensions to condensed-phase media. Primarily focusing on the calculation of equilibrium properties, excited states and reaction dynamics are covered as advanced subjects towards the end of the book. * An accessible introduction, emphasising basic concepts and applications and including both quantum mechanical and classical mechanical models. * Coverage and examples from inorganic, organic and biological chemistry * Numerous examples and applications with selected case studies designed as a basis for classroom discussion An invaluable asset to all students taking a first course in computational chemistry, molecular modelling, computational quantum chemistry or electronic structure theory. This book will also be of interest to postgraduates, researchers and professionals needing an up-to-date, accessible introduction to this subject.

Details zur Ausgabe

• Verlag: John Wiley & Sons
• Erscheinungsdatum: 2002
• Sprache: Englisch
• ISBN 10: 0471485527
• ISBN 13: 9780471485520
• Einband: Taschenbuch
• Auflage: 1
• Anzahl der Seiten: 562
• Kontakt zum Hersteller: Nicht verfügbar
• Verantwortliche Person: Sebastian Seckfort; 4.92E+12; kontakt@bookfarm.de; ; Luftpark 2; Löbnitz; Sachsen; 4509; Deutschland