The 13 papers collected here were presented at the Workshop on Data Documentation held at Reisenburg Castle, Federal Republic of Germany, in July 1975. This workshop was a first attempt to identify some of the problems in the field of data documentation, formulate them, and solve them as far as possible. The subject was approached from four…

Computers have effected a comprehensive transformation of chemistry. Computers have greatly enhanced the chemist's ability to do model building, simulations, data refinement and reduction, analysis of data in terms of models, on-line data logging, automated control of experiments, quantum chemistry and statistical and mechanical calculations, and…