University of New England

Fingerprinting intermolecular interactions in molecular crystals

We have recently described a remarkable new way of exploring packing modes and intermolecular interactions in molecular crystals using a novel partitioning of crystal space. The...

Novel tools for visualizing and exploring intermolecular interactions in molecular crystals

A new way of exploring packing modes and intermolecular interactions in molecular crystals is described, using Hirshfeld surfaces to partition crystal space. These molecular Hir...

Plant Species Richness and Ecosystem Multifunctionality in Global Drylands

Global Ecosystem Analysis The relationship between species richness and the functional properties of their ecosystems has often been studied at small scales in experimental plot...

Phytoremediation: A Promising Approach for Revegetation of Heavy Metal-Polluted Land

Heavy metal accumulation in soil has been rapidly increased due to various natural processes and anthropogenic (industrial) activities. As heavy metals are non-biodegradable, th...

A novel definition of a molecule in a crystal

Family violence and COVID‐19: Increased vulnerability and reduced options for support

Family violence refers to threatening or other violent behaviours within families that may be physical, sexual, psychological, or economic, and can include child abuse and intim...

Hirshfeld Surfaces: A New Tool for Visualising and Exploring Molecular Crystals

Striking new images of molecular crystals are afforded by isosurface rendering of smooth, nonoverlapping molecular surfaces arising from a novel partitioning of crystal space. S...

Scaling Factors for Obtaining Fundamental Vibrational Frequencies and Zero‐Point Energies from HF/6–31G* and MP2/6–31G* Harmonic Frequencies

Abstract New scaling factors have been determined for obtaining fundamental vibrational frequencies and zero‐point vibrational energies from harmonic frequencies calculated at t...

The use of marker haplotypes in animal breeding schemes

Effects of prior success and failure on expectations of success and subsequent performance.