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Journal Articles
- 2020
[j8]Khalid A. H. Alzahrani
, Robert J. Deeth:
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. J. Comput. Chem. 41(4): 340-348 (2020)- 2015
- [j7]Marco Foscato, Robert J. Deeth, Vidar R. Jensen:
Integration of Ligand Field Molecular Mechanics in Tinker. J. Chem. Inf. Model. 55(6): 1282-1290 (2015) - [j6]Marco Foscato, Benjamin J. Houghton, Giovanni Occhipinti, Robert J. Deeth, Vidar R. Jensen:
Ring Closure To Form Metal Chelates in 3D Fragment-Based de Novo Design. J. Chem. Inf. Model. 55(9): 1844-1856 (2015) - 2013
- [j5]Marina Cendic, Zoran D. Matovic, Robert J. Deeth:
Molecular modeling for Cu(II)-aminopolycarboxylate complexes: Structures, conformational energies, and ligand binding affinities. J. Comput. Chem. 34(31): 2687-2696 (2013) - 2005
- [j4]Robert J. Deeth, Natalie Fey, Benjamin Williams-Hubbard:
DommiMOE: An implementation of ligand field molecular mechanics in the molecular operating environment. J. Comput. Chem. 26(2): 123-130 (2005) - 2004
- [j3]Jean-Philip Piquemal, Benjamin Williams-Hubbard, Natalie Fey, Robert J. Deeth, Nohad Gresh, Claude Giessner-Prettre:
Inclusion of the ligand field contribution in a polarizable molecular mechanics: SIBFA-LF. J. Comput. Chem. 25(2): 308 (2004) - [j2]Robert J. Deeth, Natalie Fey:
The performance of nonhybrid density functionals for calculating the structures and spin states of Fe(II) and Fe(III) complexes. J. Comput. Chem. 25(15): 1840-1848 (2004) - 2003
- [j1]Jean-Philip Piquemal, Benjamin Williams-Hubbard, Natalie Fey, Robert J. Deeth, Nohad Gresh, Claude Giessner-Prettre:
Inclusion of the ligand field contribution in a polarizable molecular mechanics: SIBFA-LF. J. Comput. Chem. 24(16): 1963-1970 (2003)
Coauthor Index
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