Computational chemistry describes the use of computer modelling and simulation – including ab initio approaches based on quantum chemistry, and empirical approaches – to study the structures ...
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
We are pleased to introduce the collection Frontiers in Chemistry – Theoretical and Computational Chemistry Editor’s Pick ...
A new method can improve treatment for patients with chronic myeloid leukemia by predicting which medication will be most ...
Having access to the latest versions of a broad range of software is vital if computational chemistry groups are to be at the cutting edge of research and development. Add to this the fact that ...
XtalPi offers a suite of computational tools and platforms to advance pharmaceutical and new-materials research. Combining ...
A next generation quantum chemistry and crystallography program and library. Note: occ is in early development, and is undergoing substantial changes regularly - it is not stable, and features are ...
Scientists are calling for changes to chemistry textbooks after discovering a fundamental aspect of structural organic ...
Scientists are calling for changes to chemistry textbooks after discovering a fundamental aspect of structural organic ...
Yarkony, whose research changed scientists' understanding of radiationless decay, had been part of JHU's Department of ...
Like Sydney Altman 1, I too was initially rejected by the renowned Medical Research Council (MRC) Laboratory of Molecular Biology in Cambridge, England. The year was 1967 and I was then in my ...