Introduction to Computational Chemistry

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9780470011867: Introduction to Computational Chemistry
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Introduction to Computational Chemistry Second Edition provides a comprehensive account of the fundamental principles underlying different methods, ranging from classical to the sophisticated. Although comprehensive in its coverage, this textbook focuses on calculating molecular structures and (relative) energies and less on molecular properties or dynamical aspects. No prior knowledge of concepts specific to computational chemistry are assumed, but the reader will need some understanding of introductory quantum mechanics, linear algebra, and vector, differential and integral calculus.

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From the Publisher:

"...an essential reference..."
"...Jensen has done an excellent job in presenting the essential principles behind the most extensively used methods of computational chemistry...I liked the style of presentation and consider the relatively self-contained nature of the individual chapters to be an asset...the book should prove invaluable to new entrants to this thriving area of modern chemical research...and this book should also be an essential reference for non-specialists who need to assess the quality of computational results published in the chemical literature..."

Education in Chemistry, July 1999 Issue

From the Back Cover:

Introduction to Computational Chemistry, Second Edition provides a comprehensive account of the fundamental principles underlying different methods, ranging from classical to sophisticated quantum models. Although the main focus is on molecular structures and energetics, subjects such as molecular properties, dynamic aspects, relative methods and qualitative models are also covered. No prior knowledge of concepts specific to computational chemistry ids required, although some understanding of introductory quantum mechanics and elementary mathematics is assumed.

Thoroughly updated and revised, with many chapters expanded or restructured, this second edition features updated methodologies and references as well as an overview for each chapter.

  • coverage from first principles through to latest advances
  • self–contained chapters
  • basic introduction to both the theory and practical aspects of this rapidly evolving and dynamic area
  • website for additional information

Suitable for students and researchers entering the field of computational chemistry.

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