| A critical appraisal of polymer–clay nanocomposites B Chen, JRG Evans, HC Greenwell, P Boulet, PV Coveney, AA Bowden, ... Chemical Society Reviews 37 (3), 568-594, 2008 | 485 | 2008 |
| Dielectric, magnetic, and phonon properties of nickel hydroxide P Hermet, L Gourrier, JL Bantignies, D Ravot, T Michel, S Deabate, ... Physical Review B 84 (23), 235211, 2011 | 125 | 2011 |
| Absorption Spectra of Several Metal Complexes Revisited by Time-Dependent Density-Functional Theory-Response Theory Formalism. P Boulet, H Chermette, C Daul, F Gilardoni, F Rogemond, J Weber, ... J. Phys. Chem. A 105, 885-894, 2001 | 120 | 2001 |
| Recent advances in understanding the structure and reactivity of clays using electronic structure calculations P Boulet, HC Greenwell, S Stackhouse, PV Coveney Journal of Molecular Structure: THEOCHEM 762 (1-3), 33-48, 2006 | 105 | 2006 |
| Interlayer structure and bonding in nonswelling primary amine intercalated clays HC Greenwell, MJ Harvey, P Boulet, AA Bowden, PV Coveney, A Whiting Macromolecules 38 (14), 6189-6200, 2005 | 94 | 2005 |
| Density Functional Theory Calculations of the Oxidative Dehydrogenation of Propane on the (010) Surface of V2O5† F Gilardoni, AT Bell, A Chakraborty, P Boulet The Journal of Physical Chemistry B 104 (51), 12250-12255, 2000 | 89 | 2000 |
| Adsorption of the uremic toxin p-cresol onto hemodialysis membranes and microporous adsorbent zeolite silicalite V Wernert, O Schäf, V Faure, P Brunet, L Dou, Y Berland, P Boulet, ... Journal of biotechnology 123 (2), 164-173, 2006 | 80 | 2006 |
| Hypothetical high-surface-area carbons with exceptional hydrogen storage capacities: open carbon frameworks B Kuchta, L Firlej, A Mohammadhosseini, P Boulet, M Beckner, ... Journal of the American Chemical Society 134 (36), 15130-15137, 2012 | 72 | 2012 |
| Combined experimental and theoretical investigations of clay–polymer nanocomposites: intercalation of single bifunctional organic compounds in Na+-montmorillonite and Na+ … P Boulet, AA Bowden, PV Coveney, A Whiting Journal of Materials Chemistry 13 (10), 2540-2550, 2003 | 61 | 2003 |
| Simulation of hydrated Li+-, Na+-and K+-montmorillonite/polymer nanocomposites using large-scale molecular dynamics P Boulet, PV Coveney, S Stackhouse Chemical physics letters 389 (4-6), 261-267, 2004 | 57 | 2004 |
| Electronic properties of the Mg2Si thermoelectric material investigated by linear-response density-functional theory P Boulet, MJ Verstraete, JP Crocombette, M Briki, MC Record Computational Materials Science 50 (3), 847-851, 2011 | 55 | 2011 |
| Adsorption of carbon dioxide on mesoporous zirconia: microcalorimetric measurements, adsorption isotherm modeling, and density functional theory calculations V Hornebecq, C Knöfel, P Boulet, B Kuchta, PL Llewellyn The Journal of Physical Chemistry C 115 (20), 10097-10103, 2011 | 52 | 2011 |
| Adsorption of small uremic toxin molecules on MFI type zeolites from aqueous solution D Bergé-Lefranc, H Pizzala, JL Paillaud, O Schäf, C Vagner, P Boulet, ... Adsorption 14 (2), 377-387, 2008 | 49 | 2008 |
| Intercalation and in situ polymerization of poly (alkylene oxide) derivatives within M+-montmorillonite (M= Li, Na, K) HC Greenwell, AA Bowden, B Chen, P Boulet, JRG Evans, PV Coveney, ... Journal of Materials Chemistry 16 (11), 1082-1094, 2006 | 49 | 2006 |
| DFT investigation of metal complexes containing a nitrosyl ligand. 1. Ground state and metastable states P Boulet, M Buchs, H Chermette, C Daul, F Gilardoni, F Rogemond, ... The Journal of Physical Chemistry A 105 (39), 8991-8998, 2001 | 49 | 2001 |
| DFT investigation of metal complexes containing a nitrosyl ligand. 2. Excited states P Boulet, M Buchs, H Chermette, C Daul, E Furet, F Gilardoni, ... The Journal of Physical Chemistry A 105 (39), 8999-9003, 2001 | 43 | 2001 |
| Understanding the formation of new clusters of alkali and alkaline earth metals: A new synthetic approach, single-crystal structures, and theoretical calculations KM Fromm, ED Gueneau, G Bernardinelli, H Goesmann, J Weber, ... Journal of the American Chemical Society 125 (12), 3593-3604, 2003 | 40 | 2003 |
| A rapid method for analyzing the chemical bond from energy densities calculations at the bond critical point H Yang, P Boulet, MC Record Computational and Theoretical Chemistry 1178, 112784, 2020 | 38 | 2020 |
| Influence of the modified Becke-Johnson exchange potential on thermoelectric properties: Application to Mg2Si P Boulet, MC Record The Journal of chemical physics 135 (23), 2011 | 37 | 2011 |
| Thermoelectric Properties of Mg2Si Thin Films by Computational Approaches H Balout, P Boulet, MC Record The Journal of Physical Chemistry C 118 (34), 19635-19645, 2014 | 30 | 2014 |
