000			02644nam a22003858i 4500
001			CR9780511536663
003			UkCbUP
005			20200124160330.0
006			m|||||o||d||||||||
007			cr||||||||||||
008			090430s2006||||enk o ||1 0|eng|d
020			_a9780511536663 (ebook)
020			_z9780521822152 (hardback)
020			_z9781107411593 (paperback)
040			_aUkCbUP _beng _erda _cUkCbUP
050	0	0	_aQD461 _b.B425 2006
082	0	4	_a541.22 _222
100	1		_aBeck, Thomas L., _d1960- _eauthor.
245	1	4	_aThe potential distribution theorem and models of molecular solutions / _cTom Beck, Michael Paulaitis, Lawrence Pratt.
246	3		_aThe Potential Distribution Theorem & Models of Molecular Solutions
264		1	_aCambridge : _bCambridge University Press, _c2006.
300			_a1 online resource (xiii, 230 pages) : _bdigital, PDF file(s).
336			_atext _btxt _2rdacontent
337			_acomputer _bc _2rdamedia
338			_aonline resource _bcr _2rdacarrier
500			_aTitle from publisher's bibliographic system (viewed on 05 Oct 2015).
505	0	0	_g1. _tIntroduction -- _g2. _tStatistical thermodynamic necessities -- _g3. _tPotential distribution theorem -- _g4. _tModels -- _g5. _tGeneralities -- _g6. _tStatistical tentacles -- _g7. _tQuasi-chemical theory -- _g8. _tDeveloped examples.
520			_aAn 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	_aMolecular theory.
650		0	_aMolecular theory _vProblems, exercises, etc.
700	1		_aPaulaitis, Michael E., _eauthor.
700	1		_aPratt, Lawrence Riley, _d1950- _eauthor.
776	0	8	_iPrint version: _z9780521822152
856	4	0	_uhttps://doi.org/10.1017/CBO9780511536663
999			_c522470 _d522468