Hinchliffe, Alan. <br/><br/>
Molecular modelling for beginners  [[Book] /] 
Alan Hinchliffe. 
 - England  Hoboken, N.J. :  Wiley,  2003. 
 - xviii, 410 p. :  ill. ;  25 cm. 
<br/><br/>Includes bibliographical references (p. [403]-406) and index. 
<br/><br/>Electric 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. 
<br/><br/> All age. 
<br/><br/><label>ISBN: </label>0470843098  0470843101  
<br/><br/><label>Subjects--Topical Terms: </label><br/>Molecules--Mathematical models.<br/>Molecules--Computer simulation.
<br/><br/><label>Dewey Class. No.: </label>539.12