| Functionalized inorganic fluorides: synthesis, characterization and properties of nanostructured solids A Tressaud John Wiley & Sons, 2010 | 136 | 2010 |
| Modeling of the structure and properties of oxygen vacancies in amorphous silica S Mukhopadhyay, PV Sushko, AM Stoneham, AL Shluger Physical Review B 70 (19), 195203, 2004 | 124 | 2004 |
| Structure and properties of defects in amorphous silica: new insights from embedded cluster calculations PV Sushko, S Mukhopadhyay, AS Mysovsky, VB Sulimov, A Taga, ... Journal of Physics: Condensed Matter 17 (21), S2115, 2005 | 115 | 2005 |
| Structural dynamics of a metal-organic framework induced by CO2 migration in its non-uniform porous structure P Zhao, H Fang, S Mukhopadhyay, A Li, S Rudić, I McPherson, C Tang, ... Nature Communications 10 (1), 999, 2019 | 107 | 2019 |
| Vibrational analysis study of aluminum trifluoride phases U Gross, S Rüdiger, E Kemnitz, KW Brzezinka, S Mukhopadhyay, ... The Journal of Physical Chemistry A 111 (26), 5813-5819, 2007 | 90 | 2007 |
| Detecting molecular rotational dynamics complementing the low-frequency terahertz vibrations in a zirconium-based metal-organic framework MR Ryder, B Van de Voorde, B Civalleri, TD Bennett, S Mukhopadhyay, ... Physical review letters 118 (25), 255502, 2017 | 75 | 2017 |
| Oxygen vacancies in amorphous silica: structure and distribution of properties PV Sushko, S Mukhopadhyay, AM Stoneham, AL Shluger Microelectronic engineering 80, 292-295, 2005 | 70 | 2005 |
| Deactivation of a single-site gold-on-carbon acetylene hydrochlorination catalyst: An X-ray absorption and inelastic neutron scattering study G Malta, SA Kondrat, SJ Freakley, CJ Davies, S Dawson, X Liu, L Lu, ... ACS Catalysis 8 (9), 8493-8505, 2018 | 67 | 2018 |
| Calibration of embedded-cluster method for defect studies in amorphous silica AS Mysovsky, PV Sushko, S Mukhopadhyay, AH Edwards, AL Shluger Physical Review B 69 (8), 085202, 2004 | 66 | 2004 |
| Structure and Stability of α-AlF3 Surfaces CL Bailey, S Mukhopadhyay, A Wander, BG Searle, NM Harrison The Journal of Physical Chemistry C 113 (12), 4976-4983, 2009 | 60 | 2009 |
| AbINS: The modern software for INS interpretation K Dymkowski, SF Parker, F Fernandez-Alonso, S Mukhopadhyay Physica B: Condensed Matter 551, 443-448, 2018 | 59 | 2018 |
| Correlation between the atomic structure, formation energies, and optical absorption of neutral oxygen vacancies in amorphous silica S Mukhopadhyay, PV Sushko, AM Stoneham, AL Shluger Physical Review B 71 (23), 235204, 2005 | 59 | 2005 |
| Electronic structure of Lewis acid sites on high surface area aluminium fluorides: a combined XPS and ab initio investigation A Makarowicz, CL Bailey, N Weiher, E Kemnitz, SLM Schroeder, ... Physical Chemistry Chemical Physics 11 (27), 5664-5673, 2009 | 56 | 2009 |
| Identification of possible Lewis acid sites on the β-AlF 3 (100) surface: an ab initio total energy study A Wander, CL Bailey, BG Searle, S Mukhopadhyay, NM Harrison Physical Chemistry Chemical Physics 7 (23), 3989-3993, 2005 | 42 | 2005 |
| Emergence of glassy features in halomethane crystals M Moratalla, JF Gebbia, MA Ramos, LC Pardo, S Mukhopadhyay, S Rudić, ... Physical Review B 99 (2), 024301, 2019 | 39 | 2019 |
| Electronic structures and phonon free energies of LaCoO 3 using hybrid-exchange density functional theory S Mukhopadhyay, MW Finnis, NM Harrison Physical Review B 87 (12), 125132, 2013 | 36 | 2013 |
| Understanding the Role of Molecular Diffusion and Catalytic Selectivity in Liquid-Phase Beckmann Rearrangement ME Potter, AJ O’Malley, S Chapman, J Kezina, SH Newland, ... ACS Catalysis 7 (4), 2926-2934, 2017 | 35 | 2017 |
| Ab initio studies of aluminium fluoride surfaces A Wander, CL Bailey, S Mukhopadhyay, BG Searle, NM Harrison Journal of Materials Chemistry 16 (20), 1906-1910, 2006 | 35 | 2006 |
| Stability of the AlF 3 surface in H 2 O and HF environments: An investigation using hybrid density functional theory and atomistic thermodynamics S Mukhopadhyay, CL Bailey, A Wander, BG Searle, CA Muryn, ... Surface Science 601 (18), 4433-4437, 2007 | 34 | 2007 |
| Energy levels in quantum wells of nonparabolic semiconductors BR Nag, S Mukhopadhyay physica status solidi (b) 175 (1), 103-112, 1993 | 34 | 1993 |
Nicholas HarrisonImperial College LondonVerified email at imperial.ac.uk
