Aurélien de la Lande

On the role of charge transfer in halogen bonding

Jan Řezáč, Aurélien de la Lande · Physical Chemistry Chemical Physics · 2016 · 118 citations · Full text

Halogen Bonding, Engineering, Physics +13

Derivation of interpretative models for long range electron transfer from constrained density functional theory

Aurélien de la Lande, Dennis R. Salahub · Journal of Molecular Structure THEOCHEM · 2009 · 73 citations

Electron Density, Engineering, Physics +8

Surface residues dynamically organize water bridges to enhance electron transfer between proteins

Aurélien de la Lande, Nathan S. Babcock, Jan Řezáč et al. · Proceedings of the National Academy of Sciences · 2010 · 69 citations · Full text

What can be learnt on biologically relevant systems from the topological analysis of the electron localization function?

Jean‐Philip Piquemal, Julien Pilmé, Olivier Parisel et al. · International Journal of Quantum Chemistry · 2008 · 66 citations · Full text

Engineering, Mathematical Biophysics, Computational Chemistry +21

Robust and Efficient Constrained DFT Molecular Dynamics Approach for Biochemical Modeling

Jan Řezáč, Bernard C. Levy, Isabelle Demachy et al. · Journal of Chemical Theory and Computation · 2011 · 63 citations

Engineering, Computational Chemistry, Chemistry +16