Molecular Modelling for Beginners

Alan Hinchliffe

• 17 augustus 2011
• 9781119964810

Samenvatting:

bulletlistbulletA 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.bulletIncludes supporting website featuring background information, full colour illustrations, questions and answers tied into the text,Visual Basic packages and many realistic examples with solutionsbulletTakes a hands-on approach, using state of the art software packages G03/W and/or Hyperchem, Gaussian .gjf files and sample outputs.bulletRevised with changes in emphasis and presentation to appeal to the modern student./bulletlist