| Ocean acidification affects marine chemical communication by changing structure and function of peptide signalling molecules CC Roggatz, M Lorch, JD Hardege, DM Benoit Global change biology 22 (12), 3914-3926, 2016 | 118 | 2016 |
| Fast vibrational self-consistent field calculations through a reduced mode–mode coupling scheme DM Benoit The Journal of chemical physics 120 (2), 562-573, 2004 | 117 | 2004 |
| Iterative active-space selection for vibrational configuration interaction calculations using a reduced-coupling VSCF basis Y Scribano, DM Benoit Chemical physics letters 458 (4-6), 384-387, 2008 | 106 | 2008 |
| Ab initio and diffusion Monte Carlo study of uracil–water, thymine–water, cytosine–water, and cytosine–(water) 2 T Van Mourik, DM Benoit, SL Price, DC Clary Physical Chemistry Chemical Physics 2 (6), 1281-1290, 2000 | 97 | 2000 |
| Ab initio and diffusion Monte Carlo study of uracil–water, thymine–water, cytosine–water, and cytosine–(water) 2 T Van Mourik, DM Benoit, SL Price, DC Clary Physical Chemistry Chemical Physics 2 (6), 1281-1290, 2000 | 97 | 2000 |
| Fast vibrational configuration interaction using generalized curvilinear coordinates and self-consistent basis Y Scribano, DM Lauvergnat, DM Benoit The Journal of chemical physics 133 (9), 2010 | 79 | 2010 |
| H-densities: A new concept for hydrated molecules DC Clary, DM Benoit, T Van Mourik Accounts of chemical research 33 (7), 441-447, 2000 | 70 | 2000 |
| Octahedral molybdenum cluster complexes with aromatic sulfonate ligands OA Efremova, YA Vorotnikov, KA Brylev, NA Vorotnikova, IN Novozhilov, ... Dalton Transactions 45 (39), 15427-15435, 2016 | 68 | 2016 |
| Efficient correlation-corrected vibrational self-consistent field computation of OH-stretch frequencies using a low-scaling algorithm DM Benoit The Journal of chemical physics 125 (24), 2006 | 64 | 2006 |
| The structure of the melamine–cyanuric acid co-crystal TJ Prior, JA Armstrong, DM Benoit, KL Marshall CrystEngComm 15 (29), 5838-5843, 2013 | 59 | 2013 |
| Quantum simulation of phenol− water clusters DM Benoit, DC Clary The Journal of Physical Chemistry A 104 (23), 5590-5599, 2000 | 57 | 2000 |
| Density-functional-theory-based study of the dehydroxylation behavior of aluminous dioctahedral 2: 1 layer-type clay minerals S Stackhouse, PV Coveney, DM Benoit The Journal of Physical Chemistry B 108 (28), 9685-9694, 2004 | 53 | 2004 |
| The furan microsolvation blind challenge for quantum chemical methods: First steps HC Gottschalk, A Poblotzki, MA Suhm, MM Al-Mogren, J Antony, AA Auer, ... The Journal of Chemical Physics 148 (1), 2018 | 50 | 2018 |
| Carbon dioxide interaction with isolated imidazole or attached on gold clusters and surface: competition between σ H-bond and π stacking interaction M Prakash, K Mathivon, DM Benoit, G Chambaud, M Hochlaf Physical Chemistry Chemical Physics 16 (24), 12503-12509, 2014 | 50 | 2014 |
| Calculation of vibrational frequencies through a variational reduced-coupling approach Y Scribano, DM Benoit The Journal of chemical physics 127 (16), 2007 | 45 | 2007 |
| Quaternion formulation of diffusion quantum Monte Carlo for the rotation of rigid molecules in clusters DM Benoit, DC Clary The Journal of Chemical Physics 113 (13), 5193-5202, 2000 | 43 | 2000 |
| Saxitoxin and tetrodotoxin bioavailability increases in future oceans CC Roggatz, N Fletcher, DM Benoit, AC Algar, A Doroff, B Wright, ... Nature Climate Change 9 (11), 840-844, 2019 | 40 | 2019 |
| Bis (terpyridine)-based surface template structures on graphite: a force field and DFT study D Künzel, T Markert, A Groß, DM Benoit Physical Chemistry Chemical Physics 11 (39), 8867-8878, 2009 | 38 | 2009 |
| Short-and medium-term exposure to ocean acidification reduces olfactory sensitivity in gilthead seabream Z Velez, CC Roggatz, DM Benoit, JD Hardege, PC Hubbard Frontiers in physiology 10, 459776, 2019 | 37 | 2019 |
| Structurally optimised BODIPY derivatives for imaging of mitochondrial dysfunction in cancer and heart cells S Nigam, BP Burke, LH Davies, J Domarkas, JF Wallis, PG Waddell, ... Chemical communications 52 (44), 7114-7117, 2016 | 34 | 2016 |
David C. ClaryProfessor of Chemistry, University of OxfordVerified email at chem.ox.ac.uk
