| Engineering the optical response of the titanium-MIL-125 metal–organic framework through ligand functionalization CH Hendon, D Tiana, M Fontecave, C Sanchez, L D’arras, C Sassoye, ... Journal of the American Chemical Society 135 (30), 10942-10945, 2013 | 819 | 2013 |
| Rapid, selective heavy metal removal from water by a metal–organic framework/polydopamine composite DT Sun, L Peng, WS Reeder, SM Moosavi, D Tiana, DK Britt, E Oveisi, ... ACS central science 4 (3), 349-356, 2018 | 413 | 2018 |
| Conductive metal–organic frameworks and networks: fact or fantasy? CH Hendon, D Tiana, A Walsh Physical Chemistry Chemical Physics 14 (38), 13120-13132, 2012 | 320 | 2012 |
| Transferable force field for metal–organic frameworks from first-principles: BTW-FF JK Bristow, D Tiana, A Walsh Journal of Chemical Theory and Computation 10 (10), 4644-4652, 2014 | 120 | 2014 |
| Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductors JM Skelton, D Tiana, SC Parker, A Togo, I Tanaka, A Walsh The Journal of chemical physics 143 (6), 2015 | 114 | 2015 |
| Experimental and theoretical charge density studies at subatomic resolution A Fischer, D Tiana, W Scherer, K Batke, G Eickerling, H Svendsen, ... The Journal of Physical Chemistry A 115 (45), 13061-13071, 2011 | 113 | 2011 |
| Band gap modulation in zirconium-based metal–organic frameworks by defect engineering M Taddei, GM Schukraft, MEA Warwick, D Tiana, MJ McPherson, ... Journal of Materials Chemistry A 7 (41), 23781-23786, 2019 | 111 | 2019 |
| Helical frontier orbitals of conjugated linear molecules CH Hendon, D Tiana, AT Murray, DR Carbery, A Walsh Chemical Science 4 (11), 4278-4284, 2013 | 98 | 2013 |
| Water-Based Synthesis and Enhanced CO2 Capture Performance of Perfluorinated Cerium-Based Metal–Organic Frameworks with UiO-66 and MIL-140 Topology R D’Amato, A Donnadio, M Carta, C Sangregorio, D Tiana, R Vivani, ... ACS Sustainable Chemistry & Engineering 7 (1), 394-402, 2018 | 96 | 2018 |
| Bonding in classical and nonclassical transition metal carbonyls: the interacting quantum atoms perspective D Tiana, E Francisco, MA Blanco, P Macchi, A Sironi, A Martín Pendás Journal of chemical theory and computation 6 (4), 1064-1074, 2010 | 94 | 2010 |
| Ligand design for long-range magnetic order in metal–organic frameworks D Tiana, CH Hendon, A Walsh Chemical Communications 50 (90), 13990-13993, 2014 | 68 | 2014 |
| Metal-organic frameworks as kinetic modulators for branched selectivity in hydroformylation G Bauer, D Ongari, D Tiana, P Gäumann, T Rohrbach, G Pareras, M Tarik, ... Nature communications 11 (1), 1059, 2020 | 66 | 2020 |
| Mixed-linker UiO-66: structure–property relationships revealed by a combination of high-resolution powder X-ray diffraction and density functional theory calculations M Taddei, D Tiana, N Casati, JA Van Bokhoven, B Smit, M Ranocchiari Physical Chemistry Chemical Physics 19 (2), 1551-1559, 2017 | 66 | 2017 |
| A universal chemical potential for sulfur vapours AJ Jackson, D Tiana, A Walsh Chemical science 7 (2), 1082-1092, 2016 | 65 | 2016 |
| Free energy of ligand removal in the metal–organic framework uio-66 JK Bristow, KL Svane, D Tiana, JM Skelton, JD Gale, A Walsh The Journal of Physical Chemistry C 120 (17), 9276-9281, 2016 | 57 | 2016 |
| Restoring orbital thinking from real space descriptions: bonding in classical and non-classical transition metal carbonyls D Tiana, E Francisco, MA Blanco, P Macchi, A Sironi, AM Pendás Physical Chemistry Chemical Physics 13 (11), 5068-5077, 2011 | 44 | 2011 |
| Adsorbate-induced lattice deformation in IRMOF-74 series S Jawahery, CM Simon, E Braun, M Witman, D Tiana, B Vlaisavljevich, ... Nature Communications 8 (1), 1-9, 2017 | 42 | 2017 |
| Defect chemistry of Ti and Fe impurities and aggregates in Al 2 O 3 JK Bristow, D Tiana, SC Parker, A Walsh Journal of Materials Chemistry A 2 (17), 6198-6208, 2014 | 41 | 2014 |
| Metal–organic frameworks invert molecular reactivity: Lewis acidic phosphonium zwitterions catalyze the aldol-tishchenko reaction G Bauer, D Ongari, X Xu, D Tiana, B Smit, M Ranocchiari Journal of the American Chemical Society 139 (50), 18166-18169, 2017 | 39 | 2017 |
| ACS Sustainable Chem R D'Amato, A Donnadio, M Carta, C Sangregorio, D Tiana, R Vivani, ... Eng 7 (1), 394, 2019 | 36 | 2019 |
Aron WalshDepartment of Materials, Imperial College LondonVerified email at imperial.ac.uk
