Author Beck, Thomas L., 1960- author
Title The potential distribution theorem and models of molecular solutions / Tom Beck, Michael Paulaitis, Lawrence Pratt
Imprint Cambridge : Cambridge University Press, 2006
book jacket
Descript 1 online resource (xiii, 230 pages) : digital, PDF file(s)
text txt rdacontent
computer c rdamedia
online resource cr rdacarrier
Note Title from publisher's bibliographic system (viewed on 05 Oct 2015)
1. Introduction -- 2. Statistical thermodynamic necessities -- 3. Potential distribution theorem -- 4. Models -- 5. Generalities -- 6. Statistical tentacles -- 7. Quasi-chemical theory -- 8. Developed examples
An understanding of statistical thermodynamic molecular theory is fundamental to the appreciation of molecular solutions. This complex subject has been simplified by the authors with down-to-earth presentations of molecular theory. Using the potential distribution theorem (PDT) as the basis, the text provides a discussion of practical theories in conjunction with simulation results. The authors discuss the field in a concise and simple manner, illustrating the text with useful models of solution thermodynamics and numerous exercises. Modern quasi-chemical theories that permit statistical thermodynamic properties to be studied on the basis of electronic structure calculations are given extended development, as is the testing of those theoretical results with ab initio molecular dynamics simulations. The book is intended for students taking up research problems of molecular science in chemistry, chemical engineering, biochemistry, pharmaceutical chemistry, nanotechnology and biotechnology
TAEBDC; 2009
Link Print version: 9780521822152
Subject Molecular theory
Molecular theory -- Problems, exercises, etc
Alt Author Paulaitis, Michael E., author
Pratt, Lawrence Riley, 1950- author
Alt Title The Potential Distribution Theorem & Models of Molecular Solutions