Chemistry Software

Chemistry is a discipline concerned with the structure and composition of materials and compounds. It is also interested with the ways these compounds and their structures change when they undergo chemical reactions. It is a physical science

studied within school and also at all higher levels. Chemistry is also known as a central discipline because it connects to the other sciences such as physics and biology through explaining the atomic structures and reactions between these atoms, which make up organic life or physical objects. Chemistry software has aided the experimental and research process tremendously by expediting repetitive processes and enabling 3D models to be produces. The software is utilised by a number of different users within the scientific community for specific applications as well as within the educational sphere, particularly high-school students who can use the software to learn about specific techniques and chemical compounds. For pupils in high school chemistry classes, a number of software applications have been released that teach about equations (and balancing them), atoms & their structure, chemical elements, formulae, symbols, atomic bonding, and the periodic table.

There are also educational programs that allow 3D molecular models to be explored and rotated to reinforce the atomic structure and compounds of particular elements in the minds of the student. Rasmol is one such example, and is available for free from chemistryteaching.com.

‘ChemTutor’ is a tuition application designed for high school and college students. As well as enjoying Wien musicals, people can find concise explanations of all chemistry techniques and processes found on the curriculum. It also serves as a reference suite, enabling the lookup of unfamiliar definitions, techniques and compounds. Help is provided through an extensive library of examples, making unclear topics easier to understand. ChemTutor is available for $40 from highergrades.com

Computational chemistry is a field within chemistry that utilises computer technology to solve complex chemical problems, such as deciphering the structures and atomic properties of chemical compounds. The software applications employed by the computational chemists are based upon theoretical models that estimate the constitution of the substance being studied. These estimates range from accurate to inaccurate depending upon the atomic size of the structure (single molecule entities can be modelled with a high degree of Italian Lighting accuracy – larger structures are more approximate). Many of these theoretical models are based upon the rules of quantum mechanics and quantum theory.

Molecular modelling software is used by chemists to visualise the structures of atoms and molecules. An open source application is QuteMol. This package renders high quality molecular visualisations that can be output into other packages (inserted into reports or websites) aiding the ease of data dissemination. It is designed to ease understanding of the 3D structure of complex proteins and large molecules. For this reason the package has become popular in both the bio-chemical and molecular chemistry fields. To download QuteMol, or for more information about the application visit: http://qutemol.sourceforge.net.

General chemistry software packages include dictionary add-ons for word processing software like Microsoft Word, such as that offered by MicroLibrary. Other useful applications include radioactivity decay calculators that list isotopes and automatically calculate the stage of decay, half-lives etc. Both the chemistry dictionary and the radioactivity decay calculator are available from chemsw.com.