Molecular Modelling for Beginners

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9780470513149: Molecular Modelling for Beginners

  • 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.

"Sinopsis" puede pertenecer a otra edición de este libro.

From the Back Cover:

Molecular Modelling for beginners, Second Edition is a concise, basic introduction to modelling and computational chemistry including relevant introductory material to ensure greater accessibility to the subject.

  • Partially updated from the first edition, chapter dealing with Monte Carlo and molecular dynamics, the Gn models, transition states and solvent models have been completely rewritten. A new chapter entitled 'Sharing out the energy' has been added to give a deeper understanding of the many statistical concepts discussed. All the illustrative examples contained in the text have been reworked using state of the art software. The associated 3website contains a number of relevant problem sets, together with suggested solutions.
  • The Appendix ('A Mathematical aide-memoire') gives relevant mathematical detail and can be used stand-alone.

Carefully structured and including many real chemical examples:

  • The text begins by introducing the relevant fundamental theories of classical mechanics and classical electrostatics.
  • These basic theories are then applied to modelling, concentrating on developing models from classical mechanics an focusing in particular on molecular mechanics.
  • Attention then turns to statistical concepts, with a discussion of the basic methods of statistical thermodynamics.
  • Monte Carlo and molecular dynamics are then treated in some depth.
  • We then turn to quantum models, from simple quantum gases through fashionable density functional theory.
  • With an entire chapter devoted to QSAR and discovery chemistry, the text successfully combines the essential theory with relevant applications and examples designed to encourage student understanding.
  • The text ends with a discussion of transition states and hybrid models.

This text will appeal to student taking undergraduate courses in chemistry, pharmacy, biochemistry, chemical engineering and materials science. It may also prove useful to students and researcher sin departments of biology, physics and maths who are required to study molecular modelling as part of their course and professionals who need a basic introduction to this increasingly important subject.

Review:

"This book has been written as an introduction to molecular modeling and is particularly useful to students new to the field. It is particularly good as a reference material as it explains many commonly used terms and equations in a clear and concise manner." (Chromatographia, January 2010)

“A useful and comprehensive introduction to the field of molecular modeling for those who wish to understand the theory behind many of the methods in use today“(Reviews, May 2009)

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Alan Hinchliffe
Editorial: Wiley-Blackwell (2008)
ISBN 10: 0470513144 ISBN 13: 9780470513149
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Descripción Wiley-Blackwell, 2008. Paperback. Estado de conservación: New. BRAND NEW ** SUPER FAST SHIPPING FROM UK WAREHOUSE ** 30 DAY MONEY BACK GUARANTEE. Nº de ref. de la librería mon0000245884

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Alan Hinchliffe
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Descripción John Wiley and Sons Ltd, United States, 2008. Paperback. Estado de conservación: New. 2nd Revised edition. Language: English . Brand New Book. 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. Nº de ref. de la librería AAZ9780470513149

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Alan Hinchliffe
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ISBN 10: 0470513144 ISBN 13: 9780470513149
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Descripción Wiley 2008-10-10, Oxford, 2008. paperback. Estado de conservación: New. Nº de ref. de la librería 9780470513149

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Descripción Wileyand#8211;Blackwell, 2008. PAP. Estado de conservación: New. New Book. Shipped from UK in 4 to 14 days. Established seller since 2000. Nº de ref. de la librería FW-9780470513149

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Alan Hinchliffe
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ISBN 10: 0470513144 ISBN 13: 9780470513149
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Descripción John Wiley and Sons Ltd, United States, 2008. Paperback. Estado de conservación: New. 2nd Revised edition. Language: English . Brand New Book. 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. Nº de ref. de la librería AAZ9780470513149

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Descripción Estado de conservación: New. Bookseller Inventory # ST0470513144. Nº de ref. de la librería ST0470513144

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Descripción Estado de conservación: Brand New. Brand New Original US Edition, Perfect Condition. Printed in English. Excellent Quality, Service and customer satisfaction guaranteed!. Nº de ref. de la librería AIND-5133

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Descripción John Wiley and Sons Ltd. Paperback. Estado de conservación: new. BRAND NEW, Molecular Modelling for Beginners (2nd Revised edition), Alan Hinchliffe, 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. Nº de ref. de la librería B9780470513149

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Hinchliffe, Alan
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Descripción John Wiley and Sons Ltd, 2008. Estado de conservación: New. 2008. 2nd Edition. Paperback. Updated to appeal to today's student, Molecular Modeling for Beginners, Second Edition provides a concise, basic introduction to this evolving and developing field. This carefully structured textbook includes many real chemical applications combined with worked problems and solutions in each chapter. Num Pages: 428 pages, black & white illustrations, black & white tables, figures. BIC Classification: PNR. Category: (P) Professional & Vocational. Dimension: 241 x 164 x 25. Weight in Grams: 736. . . . . . . Nº de ref. de la librería V9780470513149

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Freeman,Hinchliffe,Moller,Sinton C.W.,Sorenson,Sorenson W. R,Wilson,Wilson D.A.
ISBN 10: 0470513144 ISBN 13: 9780470513149
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Descripción Estado de conservación: New. New. US edition. Perfect condition. Customer satisfaction our priority. Nº de ref. de la librería ABE-FEB-45832

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