COMPUTERS & CHEMISTRY  An International Journal
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Contents       Vol.19, No. 1, 1995
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 iii   Publisher's Announcement

  1    Jonathan D Crane
       The factorization of buckminsterfullerene into
       cyclocarbon components

 11    Piotr Paneth
       Theoretical calculations of heavy-atom isotope effects

 21    Pierre Hansen and Maolin Zheng
       Assigning a Kekule structure to a conjugated molecule

 27    Istvan Lukovits
       A note on a formula for the hyper-Weiner index of 
       some trees

 33    M Krauss
       Effective fragment potentials and spectroscopy at 
       enzyme active sites

 39    Constantino A Uteras-Diaz, and Jorge Ricardo Letelier
       A variational-numerical method to solve the one-
       dimensional wave equation for an arbitrary potential

 45    Krystyna Wieczorek-Ciurowa, 
       The use of optimization techniques in the phase
        identification of sulphation limestone products

 51    S Bhattacharjee
       Geometric volume and new refrigerants-II. 
       Haloethanes

Software Note
 59    M Sanchez Del Rio, J Chaboy and R Djerbi
       NPI, A code for EXAFS data analysis

Software Review
 63    DeLos F DeTar
       Desk Top Molecular Modeller