000			02965nam a22003618i 4500
001			CR9780511529610
003			UkCbUP
005			20200124160317.0
006			m|||||o||d||||||||
007			cr||||||||||||
008			090409s1999||||enk o ||1 0|eng|d
020			_a9780511529610 (ebook)
020			_z9780521552974 (hardback)
020			_z9780521019514 (paperback)
040			_aUkCbUP _beng _erda _cUkCbUP
050	0	0	_aTP156.C7 _bM65 1999
082	0	0	_a660/.284298 _221
245	0	0	_aMolecular modeling applications in crystallization / _cedited by Allan S. Myerson.
264		1	_aCambridge : _bCambridge University Press, _c1999.
300			_a1 online resource (ix, 354 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 to Molecular Modeling / _rAlexander F. Izmailov and Allan S. Myerson -- _g2. _tCrystallization Basics / _rAllan S. Myerson -- _g3. _tThe Study of Molecular Materials Using Computational Chemistry / _rRobert Docherty and Paul Meenan -- _g4. _tTowards an Understanding and Control of Nucleation, Growth, Habit, Dissolution, and Structure of Crystals Using "Tailor-Made" Auxiliaries / _rIsabelle Weissbuch, Meir Lahav and Leslie Leiserowitz -- _g5. _tIonic Crystals in the Hartman-Perdok Theory with Case Studies: ADP (NH[subscript 4]H[subscript 2]PO[subscript 4])-type Structures and Gel-Grown Fractal Ammonium Chloride (NH[subscript 4]Cl) / _rC.S. Strom, R.F.P. Grimbergen and P. Bennema / _r[and others].
520			_aCrystallization is an important purification process used in a broad range of industries, including pharmaceuticals, foods, and bulk chemicals. In recent years, molecular modeling has emerged as a useful tool in the analysis and solution of problems associated with crystallization. Modeling allows more focused experimentation based on structural and energetic calculations instead of intuition and trial and error. This book is the first to offer a general introduction to molecular modeling techniques and their application in crystallization. After explaining the basic concepts of molecular modeling and crystallization, the book goes on to discuss how modeling techniques are used to solve a variety of practical problems related to crystal size, shape, internal structure, and properties. With chapters written by leading experts and an emphasis on problem-solving, this book will appeal to scientists, engineers, and graduate students involved in research and the production of crystalline materials.
650		0	_aCrystallization _xComputer simulation.
650		0	_aCrystal growth _xComputer simulation.
650		0	_aMolecules _xModels.
700	1		_aMyerson, Allan S., _d1952- _eeditor.
776	0	8	_iPrint version: _z9780521552974
856	4	0	_uhttps://doi.org/10.1017/CBO9780511529610
999			_c521610 _d521608