Molecular modelling for beginners / Alan Hinchliffe.

AUTOR: Alan Hinchliffe
ISBN: 0470843101
EDITOR: Wiley
IDIOMA: eng
PÁGINAS: XVIII, 410
AÑO: 2003

 
   
RECOMENDADO EN LAS SIGUIENTES ASIGNATURAS
Química Computacional aplicada
 
RESUMEN

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.