In 2012, the United Nations General Assembly declared 2014 the International Year of Crystallography. Throughout the year 2014 and beyond, all the crystallographic associations and societies active all over the world are organizing events to attract the wider public toward crystallography and the numerous topics to which it is deeply interlinked.…

A computer system, named CORA, has been devised for coding chemical structures by fragmentation elements. It has been used to encode Markush formulas in patents according to the Ring codes used in the Ringdoc and Pestdoc services and results in an easy, speedy, reliable and inexpensive method. (4 references) (Author)

The set reduction algorithm is based on set theory and Boolean algebra rather than the graph-theoretic approach. Time trials with a small file of organic chemical structures indicate that the algorithm can be economically used for substructure (or complete structure) sequential searches on a file containing 30,000-50,000 computer-coded structures.…

Examined are some of the types of two-dimensional spectra. Their application to nuclear magnetic resonance for the elucidation of molecular structure is discussed. Included are J spectroscopy, H-H correlation spectroscopy, heteronuclear correlation spectroscopy, carbon-carbon correlation, nuclear Overhauser effect correlation, experimental…

Reviewed are two computer software packages: "Introduction to Spectroscopy, IR, NMR & CMR," and "ASYSTANT" (a mathematical and statistical analysis software tool). Discussed are the functions, strengths, weaknesses, hardware requirements, components, level, and cost for each package. (CW)