Abstract
A retrospective view of the design and evolution of Chemical Markup Language (CML) is presented by its original authors.
Highlights
A retrospective view of the design and evolution of Chemical Markup Language (CML) is presented by its original authors
I couldn’t use these with my analysis code. This burgeoning of portable chemical computational systems had began in the early 1980s with a number of software products, mainly codes and datafiles, being developed for the molecular graphics and computational chemistry community
It seemed completely wasteful not to have a common format, so I started an activity within the Molecular Graphics Society [6] to systematize file types
Summary
Quantum theoretical contributions to the problem of aromatic and non-saturated compounds. Dewar MJS: A Molecular Orbital Theory of Organic Chemistry. Hout RF Jr, Pietro WJ, Hehre WJ: Orbital photography.
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