A crucial component of this is understanding the behaviour of the electrons that surround the atomic nucleus; these dynamics dominate the way atoms and molecules interact with their environment.

Note: This is a completely new version of the pairinteraction software that is not backward compatible to versions below v1.0. Breaking changes can occur until the software reaches v2.0. The ...

Department of Physical Chemistry, School of Chemistry, The Raymond and Beverly Sackler Faculty of Exact Sciences and The Sackler Center for Computational Molecular and Materials Science, Tel Aviv ...

Molecular Sciences Research Hub, Department of Chemistry, Imperial College London, 82 Wood Lane, White City, London W12 0BZ, U.K.