News

Version 3.1 of Quantemol-N released

Features:

Molecule visualisation
Interactive symmetry assignment tool
Elastic cross sections
Excitation and dissociation cross sections
Rates
Eigenphase sums
Resonance parameters

17 atom molecules are now possible

We have recently completed a calculation on Neopentane (or perhaps 2,2 dimethyl propane). This molecule - displayed below - is the largest we have done. We are however aiming higher and are rapidly moving into the realm of bio-molecules.

New molecular visualisation tool

Quantemol-N now contains a new molecule visualisation and symmetry assignment tool. Generating a molecule and specifying its symmetry is no longer laborious process and is in fact fun! Our system is demonstrated below for Neopentane.

This demonstration requires Java Runtime to be installed and enabled in your browser.

Quantemol-N now works on Windows

Version 3.0 is our first version of windows to run on Microsoft Windows as well as Linux.

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