Julien Pilmé

Nine questions on energy decomposition analysis

Juán Andrés, Paul W. Ayers, Roberto A. Boto et al. · Journal of Computational Chemistry · 2019 · 148 citations · Full text

Energy Consumption, Methodological Development, Engineering +15

Structure and Stability of M−CO, M = First-Transition-Row Metal:  An Application of Density Functional Theory and Topological Approaches

Julien Pilmé, Bernard Silvi, M. E. Alikhani · The Journal of Physical Chemistry A · 2003 · 85 citations

Engineering, Same Multiplicity, Theoretical Inorganic Chemistry +18

Gas-Phase Folding of a Two-Residue Model Peptide Chain: On the Importance of an Interplay between Experiment and Theory

Eric Gloaguen, Benoît de Courcy, Jean‐Philip Piquemal et al. · Journal of the American Chemical Society · 2010 · 85 citations

QTAIM Analysis in the Context of Quasirelativistic Quantum Calculations

Julien Pilmé, Éric Renault, Fadel Bassal et al. · Journal of Chemical Theory and Computation · 2014 · 83 citations

Experimental and theoretical evidences of the influence of hydrogen bonding on the catalytic activity of a series of 2-hydroxy substituted quaternary ammonium salts in the styrene oxide/CO2 coupling reaction

Catarina Carvalho Rocha, Thomas Onfroy, Julien Pilmé et al. · Journal of Catalysis · 2015 · 74 citations

Materials Science, Engineering, Theoretical Evidences +9