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 ...
We are pleased to introduce the collection Frontiers in Chemistry – Theoretical and Computational Chemistry Editor’s Pick ...
Nobel Prize in Chemistry highlights AI-driven breakthroughs in computational protein design and structure prediction. Tools ...
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
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 ...
A new method can improve treatment for patients with chronic myeloid leukemia by predicting which medication will be most ...
Scientists are calling for changes to chemistry textbooks after discovering a fundamental aspect of structural organic ...
A research team led by Yuuki Kubo and Shiji Tsuneyuki from the University of Tokyo has developed an innovative computational ...
This eBook delves into the science behind first-void urine, exploring its composition, collection methods, and the latest ...
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 ...
XtalPi offers a suite of computational tools and platforms to advance pharmaceutical and new-materials research. Combining ...