In article <2vb4iv$j7e at mserv1.dl.ac.uk>
philstas at vub.ac.be (Stas Philippe) writes:
> Does anyone know good introductory instructional materials
> demonstrating/teaching or giving overview of chemistry
> modeling?
The following literature might help:
%0 Book
%A Burkert, Ulrich
%A Allinger, Norman
%D 1982
%T Molecular Mechanics
%S ASC Monography 117
%I America Chemical Society
%K molecular mechanics, force field, review, introduction
%0 Book
%A McCammon, J.A.
%A Harvey, Stephen
%D 1987
%T Dynamics of Proteins and Nucleic Acids
%I Cambridge University Press
%C Cambridge
%K molecular mechanics, introduction, water structure, hydration, force
field
%0 Book
%A Allen, M. P.
%A Tildesley, D. J.
%D 1989
%T Computer Simulation of Liquids
%I Clarendon Press
%C Oxford
%7 second
%K molecular modeling, force field, boundary condition, ensemble
sampling, molecular dynamics, constrained dynamics, hard sheres, Monte
Carlo simulation, grand canonical ensemble, neighbour list, Ewald
summation, molecular mechanics, introduction
%0 Journal Article
%A Allinger, Norman L.
%A Yuh, Young H.
%A Lii, Jen-Huei
%D 1989
%T Molecular Mechanics. The MM3 force field for Hydrocarbons. (1)
%J Journal of the American Chemical Society
%V 111
%N 23
%P 8551-8565
%K molecular mechanics, introduction, force field, MM3, aliphatic
hydrocarbons, structural energy, heat of formation
%0 Book
%A Lipkowitz, K. B.
%A Boyd, D. B.
%D 1993
%T Reviews in Computational Chemistry
%I VCH Publishers
%C Weinheim
%V 1-4
%K molecular mechanics, introduction, force field
Eberhard von Kitzing
Max-Planck-Institute fuer Medizinische Forschung
Postfach 10 38 20, D 69028 Heidelberg, FRG
Internet: vkitzing at sunny.MPImF-Heidelberg.mpg.de
