Looking at the teaching of science and the importance language plays. Study shows how a taxonomy of language is built by students. Exploring how students then used language as a resource to unlock meaning and to decide upon an appropriate. answer. Conclusion focused on the implications for teaching science.
This article uses a high school science class to see how language was used to connect theory and practice. It draws on classroom data analysed from a functional linguistic perspective, exploring the nature of science as a socially constructed practice.
The Computational Chemistry Comparison and Benchmark Database (CCCBDB) contains links to experimental and computational thermochemical data for a selected set of gas-phase atoms and molecules as well as tools for comparing experimental and computational ideal-gas thermochemical properties.
PyQuante is an open-source suite of programs for developing quantum chemistry methods. The program is written in the Python programming language, but has many "rate-determining" modules also written in C for speed.
NWChem is an electronic structure package that features MC-SCF, MPn, CC, CI, and DFT methods. Properties, solvation models, QM/MM, and MD simulations are also possible.
GAMESS-US is a full-featured electronic structure software package with MC-SCF, CC, DFT, and CI wave functions. QM/MM, FMO, solvation, and MD calculations are also possible.