Computational methods to predict the reactivity of nanoparticles through structure–property relationships

Oxidation of Copper(I) Hexaaza Macrocyclic Dinuclear Complexes

(2009) Albert Poater   JOURNAL OF PHYSICAL CHEMISTRY A

Exploring the Reactivity of Ru-Based Metathesis Catalysts with a π-Acid Ligand Trans to the Ru−Ylidene Bond

(2009) Albert Poater et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Complex mathematical models of biology at the nanoscale

(2009) Sharon Bewick et al.   Wiley Interdisciplinary Reviews-Nanomedicine and Nanobiotechnology

Modeling the structure-property relationships of nanoneedles: A journey toward nanomedicine

(2008) Albert Poater et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Toxmatch—A chemical classification and activity prediction tool based on similarity measures

(2008) Ana Gallegos-Saliner et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

Functionalized Carbon Nanotubes in Drug Design and Discovery

(2007) Maurizio Prato et al.   ACCOUNTS OF CHEMICAL RESEARCH