The performance of nonhybrid density functionals for calculating the structures and spin states of Fe(II) and Fe(III) complexes. - Robert J. Deeth; Natalie Fey (J. Comput. Chem., 2004)

Inclusion of the ligand field contribution in a polarizable molecular mechanics: SIBFA-LF. - Jean-Philip Piquemal; Benjamin Williams-Hubbard; Natalie Fey; Robert J. Deeth; Nohad Gresh; Claude Giessner-Prettre (J. Comput. Chem., 2004)

DommiMOE: An implementation of ligand field molecular mechanics in the molecular operating environment. - Robert J. Deeth; Natalie Fey; Benjamin Williams-Hubbard (J. Comput. Chem., 2005)

Molecular modeling for Cu(II)-aminopolycarboxylate complexes: Structures, conformational energies, and ligand binding affinities. - Marina Cendic; Zoran D. Matovic; Robert J. Deeth (J. Comput. Chem., 2013)

Integration of Ligand Field Molecular Mechanics in Tinker. - Marco Foscato; Robert J. Deeth; Vidar R. Jensen (J. Chem. Inf. Model., 2015)

Ring Closure To Form Metal Chelates in 3D Fragment-Based de Novo Design. - Marco Foscato; Benjamin J. Houghton; Giovanni Occhipinti; Robert J. Deeth; Vidar R. Jensen (J. Chem. Inf. Model., 2015)

A Computational Analysis of the Intrinsic Plasticity of Five-Coordinate Cu(II) Complexes and the Factors Leading to the Breakdown of the Orbital Directing Effect in Paddlewheel Secondary Building Units. - Khalid A. H. Alzahrani; Robert J. Deeth (J. Comput. Chem., 2020)