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Welcome to Volume 5 of the ‘Chemical Modelling’ SPR. Naturally, I want to start by thanking my team of Reporters for the hard work they have put into making this the best and most comprehensive volume so far. We hope you will derive benefit and perhaps even pleasure from our efforts.

It seems a long time since I wrote the following in my Preface to Volume 1 (1999)…

‘Starting a new SPR is never easy, and there was the problem of where the contributors should start their accounts; since time began? five years ago? An SPR should be the first port of call for an up-to-the-minute account of trends in a specialist subject rather than a dull collection of references. My solution was to ask contributors to include enough historical perspective to bring a non-specialist up to speed, but to include all pertinent references through May 1999. Volume 2 will cover the literature from June 1999 to May 2001 and so on. In subsequent Volumes, I shall ask those Contributors dealing with the topics from Volume 1 to start from there. New topics will be given the same generous historical perspective opportunity as Volume 1 but will have to cover the literature to 2001 + n where n = 0, 2, 4, …. This process will continue until equilibrium is reached.’

Equilibrium was reached a couple of Volumes ago and some mature topics don’t need cover every Volume.

My final sentence for Volume 1 was

‘I am always willing to listen to convincing ideas for new topics’

as indeed I am.

Alan Hinchliffe

Manchester 2008

   RSC Specialist Periodical Report 
Chemical Modelling: Applications and Theory (Volume 5) 
  
Chapter  Corresponding author  Topic 
Dr Adrian Mulholland  Multiscale modelling of biological systems 
Dr Richard Lewis  Computer-aided drug design 2005–2007 
Prof Michael Springborg  Solvation effects 
Dr Elaine A Moore  The solid state 
Prof David Sholl  DFT studies of alloys in heterogeneous catalysis 
Prof Debra Bernhardt  Fluctional relations, free energy calculations and irreversibility 
Dr Steven Wilson  Many body perturbation theory and its application to the molecular structure problem 
Dr David Pugh  Experiment and theory in the determination of molecular hyperpolarizabilities in solution 
Prof Ali Pakiari  The Floating Spherical Gaussian Orbital (FSGO) method 
10  Dr Peter Karadakov  Advances in valence bond theory 
11  Prof Theodore Simos  Numerical methods in chemistry 
   RSC Specialist Periodical Report 
Chemical Modelling: Applications and Theory (Volume 5) 
  
Chapter  Corresponding author  Topic 
Dr Adrian Mulholland  Multiscale modelling of biological systems 
Dr Richard Lewis  Computer-aided drug design 2005–2007 
Prof Michael Springborg  Solvation effects 
Dr Elaine A Moore  The solid state 
Prof David Sholl  DFT studies of alloys in heterogeneous catalysis 
Prof Debra Bernhardt  Fluctional relations, free energy calculations and irreversibility 
Dr Steven Wilson  Many body perturbation theory and its application to the molecular structure problem 
Dr David Pugh  Experiment and theory in the determination of molecular hyperpolarizabilities in solution 
Prof Ali Pakiari  The Floating Spherical Gaussian Orbital (FSGO) method 
10  Dr Peter Karadakov  Advances in valence bond theory 
11  Prof Theodore Simos  Numerical methods in chemistry 

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