A push-and-pull model for allosteric anion binding in cage complexes
J. M. Dieterich, G. H. Clever and R. A. Mata
Phys. Chem. Chem. Phys. 14, 12746-12749 (2012)

Application of Local Second-Order Møller−Plesset Perturbation Theory to the Study of Structures in Solution
J. M. Dieterich, J. C. A. Oliveira and R. A. Mata
J. Chem. Theory Comput. 8, 3053-3060 (2012)

Study of Specific Ion-Amino Acid Interactions through the Use of Local Correlation Methods
J. C. A. Oliveira, J. Feldt, N. Galamba and R. A. Mata
J. Phys. Chem. A 116, 5464-5471 (2012)

Structural diversity in sodium doped water trimers
R. M. Forck, J. M. Dieterich, C. C. Pradzynski, A. L. Hutching, R. A. Mata and T. Zeuch
Phys. Chem. Chem. Phys. 14, 9054-9057 (2012)

Computation of induced dipoles in molecular mechanics simulations using Graphics Processors
F. Pratas, J. M. Dieterich, L. Sousa and R. A. Mata
J. Chem. Inf. Model. 52, 1159-1166 (2012)

Atomdroid: A computational chemistry tool for mobile platforms
J. Feldt, R. A. Mata and J. M. Dieterich
J. Chem. Inf. Model. 52, 1072-1078 (2012)

Monomeric Sn(II) and Ge(II) Hydrides Supported by Tridentate Pincer-based Ligand
S. Khan, P. P. Samuel, R. Michel, J. M. Dieterich, R. A. Mata, J.-P. Demers, A. Lange, H. W. Roesky and D. Stalke
Chem. Comm. 48, 4890-4892 (2012)

A first-principles based potential for the description of alkaline-earth metals
J. M. Dieterich, S. Gerke and R. A. Mata
J. At. Mol. Opt. Phys. 2012, ID 648386 (2012)