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http://worldcat.org/entity/work/id/702549

A 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.; Includessupporting 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 stu.

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  • "Eletric Charges and Their Properties. The Forces Between Molecules. Balls on Springs. Molecular Mechanics. The Molecular Potential Energy Surface. A Molecular Mechanics Calculation. Quick Guide to Statical Thermodynamics. Molecular Dynamics. Monte Carlo. Introduction to Quantum Modelling. Quantum Gases. One-Electron Atoms. The Orbital Model. Simple Molecules. The HF-LCAO Model. HF-LCAO Examples. Semi-Empirical Models. Electron Correlation. Destiny Functional Theory and the Kohn-Sham LCAO Equations. Miscellany."
  • "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.; Includessupporting 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 stu."@en
  • "Presenting a concise, basic introduction to modelling and computational chemistry this text includes relevant introductory material to ensure greater accessibility to the subject. Provides a comprehensive introduction to this evolving and developing fieldFocuses on MM, MC, and MD with an entire chapter devoted to QSAR and Discovery Chemistry."@en
  • "-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."@en
  • "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 stu."@en
  • "Updated to appeal to today's student, 'Molecular Modeling for Beginners', provides a concise, basic introduction to this evolving and developing field. It includes many real chemical applications combined with worked problems and solutions in each chapter."

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  • "Libros electrónicos"
  • "Lehrbuch"
  • "Electronic resource"@en
  • "Electronic books"
  • "Electronic books"@en

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  • "A Molecular modelling for beginners"@en
  • "Molecular Modelling for Beginners"
  • "Molecular Modelling for Beginners"@en
  • "Molecular modelling for beginners"
  • "Molecular modelling for beginners"@en

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