Robert J. Deeth

According to our database, Robert J. Deeth authored at least 7 papers between 2004 and 2020.

Collaborative distances:

• Dijkstra number of six.
• Erdős number of five.

2020

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

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

Integration of Ligand Field Molecular Mechanics in Tinker.

Marco Foscato, Robert J. Deeth, Vidar R. Jensen

J. Chem. Inf. Model., 2015

2013

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

2005

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

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

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