000			01679cam a22003134a 4500
005			20150712005544.0
008			030722s2003 enka b 001 0 eng
020			_a0470843098
020			_a0470843101
040			_aDLC _cDLC _dNXW
042			_apcc
049			_aNXWW
082			_a539.12
084			_a539.12 _bHM
100	1		_aHinchliffe, Alan.
245	1	0	_aMolecular modelling for beginners _h[[Book] /] _cAlan Hinchliffe.
260			_aEngland _aHoboken, N.J. : _bWiley, _c2003.
300			_axviii, 410 p. : _bill. ; _c25 cm.
504			_aIncludes bibliographical references (p. [403]-406) and index.
505	0		_aElectric charges and their properties -- The forces between molecules -- Balls on springs -- Molecular mechanics -- The molecular potential energy surface -- A molecular mechanics calculation -- Quick guide to statistical thermodynamics -- Molecular dynamics -- Monte Carlo -- Introduction to quantum modelling -- Quantum gases -- One-electron atoms -- The orbital model -- Simple molecules -- The HF-LCAO model -- HF-LCAO examples -- Semi-empirical models -- Electron correlation -- Density functional theory and the Kohn-Sham LCAO equations -- Miscellany -- A mathematical aide-m�moire.
521			_aAll age.
650		0	_aMolecules _xMathematical models.
650		0	_aMolecules _xComputer simulation.
700	1		_aHinchliffe, Alan.
856	4	0	_iInput this URL in a browser to get GIF cover art data. _qGIF _uhttp://firstsearch.oclc.org/WebZ/DCARead?standardNoType=1&standardNo=0470843098:srcdbname=worldcat:fromExternal=true&sessionid=0 _xOCLC EC _xwidth=125 height=187 _3cover art
001			0000024637
003			0000
942			_cBK
999			_c55823 _d55823