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The potential distribution theorem and models of molecular solutions /

Record Type:	Language materials, printed : Monograph/item
Title/Author:	The potential distribution theorem and models of molecular solutions // Tom Beck, Michael Paulaitis, Lawrence Pratt.
remainder title:	The Potential Distribution Theorem & Models of Molecular Solutions
Author:	Beck, Thomas L.,
other author:	Paulaitis, Michael E.,
Description:	1 online resource (xiii, 230 pages) :digital, PDF file(s). :
Notes:	Title from publisher's bibliographic system (viewed on 05 Oct 2015).
Subject:	Molecular theory. -
Online resource:	https://doi.org/10.1017/CBO9780511536663
ISBN:	9780511536663 (ebook)

The potential distribution theorem and models of molecular solutions /
Beck, Thomas L.,1960-

The potential distribution theorem and models of molecular solutions /The Potential Distribution Theorem & Models of Molecular SolutionsTom Beck, Michael Paulaitis, Lawrence Pratt. - 1 online resource (xiii, 230 pages) :digital, PDF file(s).

Title from publisher's bibliographic system (viewed on 05 Oct 2015).

Introduction --1.

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.

ISBN: 9780511536663 (ebook)Subjects--Topical Terms:

636402
Molecular theory.

LC Class. No.: QD461 / .B425 2006

Dewey Class. No.: 541.22

The potential distribution theorem and models of molecular solutions /
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500 $a Title from publisher's bibliographic system (viewed on 05 Oct 2015).
505 0 0 $g 1. $t Introduction -- $g 2. $t Statistical thermodynamic necessities -- $g 3. $t Potential distribution theorem -- $g 4. $t Models -- $g 5. $t Generalities -- $g 6. $t Statistical tentacles -- $g 7. $t Quasi-chemical theory -- $g 8. $t Developed examples.
520 $a 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.
650 0 $a Molecular theory. $3 636402
650 0 $a Molecular theory $v Problems, exercises, etc. $3 636401 $3 733734
700 1 $a Paulaitis, Michael E., $e author. $3 1442706
700 1 $a Pratt, Lawrence Riley, $d 1950- $3 636404
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856 4 0 $u https://doi.org/10.1017/CBO9780511536663