title: The coupled-cluster description of electronic structure: perspectives for bioinorganic chemistry.
abstract: This commentary provides an overview of the challenges and strengths of coupled-cluster theory when applied to active sites of metalloproteins. It is argued that thanks to increases in computer power and remarkable methodological developments, coupled-cluster methods will make increasingly important contributions to understanding the structure, properties and reactivity of transition metal cofactors.
authors.affiliation: Centre for Computational Chemistry, School of Chemistry, University of Bristol, Cantock's Close, Bristol, BS8 1TS, UK. jeremy.harvey@bris.ac.uk
authors.forename: Jeremy N
authors.initials: JN
authors.lastname: Harvey
mesh_terms: D001665:Binding Sites; D015393:Chemistry, Bioinorganic; D003198:Computer Simulation; D004583:Electrons; D008667:Metalloproteins / Q000737:chemistry* / Q000378:metabolism; D008958:Models, Molecular; D028561:Transition Elements / Q000737:chemistry
chemical_list: D008667:Metalloproteins; D028561:Transition Elements