Матметоды и моделирование в химии
Химия и химическая промышленность
  • формат pdf
  • размер 9.98 МБ
  • добавлен 08 февраля 2011 г.
Barrante J.R. Applied Mathematics for Physical Chemistry
Prentice Hall, 1997. - 227 pages.

Unique in its approach, content, and perspective, this book helps readers bridge the application gap between mathematics and chemistry and to acquire a fuller set of mathematical tools necessary for such applications. Using an abundance of fully-worked examples, it shows step-by-step how to directly apply mathematics to physical chemistry problems. It features numerous problems, many multi-part, that use the symbolism found in standard physical chemistry books or involve actual physical chemistry equations. It offers full-chapter coverage of many important topics relegated to appendices in other books. It also provides a full chapter on numerical methods and computer programming showing step-by-step how to write programs to do numerical integration, and covers areas of advanced mathematics — e.g. , differential equations and operator mechanics.

Похожие разделы
Смотрите также

Beers K.J. Numerical Methods for Chemical Engineering: Applications in MATLAB

  • формат pdf
  • размер 3.91 МБ
  • добавлен 13 февраля 2011 г.
Cambridge University Press, 2006. - 486 pages. Suitable for a first year graduate course, this textbook unites the applications of numerical mathematics and scientific computing to the practice of chemical engineering. Written in a pedagogic style, the book describes basic linear and nonlinear algebraic systems all the way through to stochastic methods, Bayesian statistics and parameter estimation. These subjects are developed at a level of math...

Cockett M.C.R., Doggett G. Maths for Chemists. Vol. 1: Numbers, Functions and Calculus

  • формат pdf
  • размер 7.56 МБ
  • добавлен 19 декабря 2010 г.
Royal Society of Chemistry, 2003. - 192 pages. The two volumes of "Maths for Chemists" provide a resource for all undergraduate chemistry students and are particularly focused on the needs of students who may not have studied mathematics beyond GCSE level (or equivalent). The texts are introductory in nature and adopt a sympathetic approach for students who need support and understanding in working with the diverse mathematical tools required in...

Cockett M.C.R., Doggett G. Maths for Chemists. Vol. 2: Power Series, Complex Numbers and Linear Algebra

  • формат pdf
  • размер 5.55 МБ
  • добавлен 19 декабря 2010 г.
Royal Society of Chemistry, 2003. - 200 pages. The two volumes of "Maths for Chemists" provide a resource for all undergraduate chemistry students, but are particularly focused on the needs of students who may not have studied mathematics beyond GCSE level (or equivalent). The texts are introductory in nature and adopt a sympathetic approach for students who need support and understanding in working with the diverse mathematical tools required i...

Ferguson D.M., Siepmann J.I., Truhlar D.G. Monte Carlo Methods in Chemical Physics

  • формат pdf
  • размер 28.25 МБ
  • добавлен 12 сентября 2011 г.
Wilеy-Intеrscience, 1999, 555 pages Monte Carlo methods have become a widely used computational approach to many-dimensional problems in chemical physics. They provide techniques for quantum mechanical, classical mechanical, and statistical mechanical simulations of molecular processes and thermo-dynamics in chemistry, physics, and biology. No single previous volume has brought together the latest trends in Monte Carlo simulations. In sixteen d...

Jensen F. Introduction to Computational Chemistry

  • формат pdf
  • размер 9.84 МБ
  • добавлен 01 октября 2010 г.
2nd ed. , 2007. - 620 p. Introduction to Computational Chemistry Frank Jensen Odense University, Denmark Computational chemistry is a rapidly emerging and developing area, combining theoretical models with computers to investigate a variety of chemical phenomena. Increasingly applied throughout chemistry, computational methods are becoming an integral part of modern chemical research. Introduction to Computational Chemistry provides a comprehensi...

Milewski J., Swirski K., Santarelli M., Leone P. Advanced Methods of Solid Oxide Fuel Cell Modeling

  • формат pdf
  • размер 6.54 МБ
  • добавлен 12 марта 2011 г.
Springer-Verlag, 2011. 231 p. ISBN: ISBN 978-0-85729-261-2 Fuel cells are widely regarded as the future of the power and transportation industries. Intensive research in this area now requires new methods of fuel cell operation modeling and cell design. Typical mathematical models are based on the physical process description of fuel cells and require a detailed knowledge of the microscopic properties that govern both chemical and electrochemic...

Rice R.G., Do D.D. Applied Mathematics and Modeling for Chemical Engineers

  • формат pdf
  • размер 22.42 МБ
  • добавлен 06 февраля 2011 г.
Wiley, 1994. - 720 Pages. The purpose of this book is to attempt to bridge the gap between classical analysis and modern applications. Thus, emphasis is directed in Chapter 1 to the proper representation of a physicochemical situation into correct mathematical language.

Steiner E. The Chemistry Maths Book

  • формат pdf
  • размер 8.87 МБ
  • добавлен 11 августа 2011 г.
2nd ed. - Oxford University Press, 2008. - 576 pages. The Chemistry Maths Book provides a complete course companion suitable for students at all levels. All the most useful and important topics are covered, with numerous examples of applications in chemistry and the physical sciences. Taking a clear, straightforward approach, the book develops ideas in a logical, coherent way, allowing students progressively to build a thorough working underst...

Turbomole Tutorial

  • формат pdf
  • размер 3.08 МБ
  • добавлен 07 июля 2011 г.
This tutorial gives short description on how to prepare step by step, set up and submit calculations using one of the most powerful Computational Quantum Chemistry program - Turbomole.

Young D. Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems

  • формат pdf
  • размер 4.03 МБ
  • добавлен 22 апреля 2011 г.
John Wiley & Sons, Inc. , 2001, 408 p. A practical, easily accessible guide for bench-top chemists, this book focuses on accurately applying computational chemistry techniques to everyday chemistry problems. Provides nonmathematical explanations of advanced topics in computational chemistry. Focuses on when and how to apply different computational techniques. Addresses computational chemistry connections to biochemical systems and polymers. P...