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  • Currently displaying 20221 - 20240 of 20259 publications
Modelling Electron Transfers Using Quasidiabatic Hartree-Fock States
KT Jensen, RL Benson, S Cardamone, AJW Thom
Surface Sensitive NMR Detection of the SEI Layer on Reduced Graphene Oxide
M Leskes, G Kim, T Liu, AL Michan, F Aussenac, P Dorffer, S Paul, CP Grey
Highly diastereoselective boron and titanium mediated aldol reactions of a mannitol derived 2,3-butanediacetal ethyl ketone
SV Ley, M O'Brien
– Tetrahedron
A rationally designed Hsp70 variant rescues the aggregation-associated toxicity of human IAPP in cultured pancreatic islet β-cells
MN Bongiovanni, FA Aprile, P Sormanni, M Vendruscolo
– International Journal of Molecular Sciences
A Continuous Multistep Process for the Preparation of 3-Bromo-2-Oxopropanal O-methyl Oxime as a Precursor to Access C4-Oxime-Substituted Thiazoles
SV Ley, E Godineau, C Battilocchio, M Lehmann, R Labes, L Birnoschi, S Subramanian, CS Prasanna, A Gorde, M Kalbagh, V Khade, A Scherrer, AC O'Sullivan
Unprecedented stability of raspberry-like colloids
S Vignolini
– Nature Communications
Compositional analysis of adsorbed organic aerosol on a microresonator mass sensor
AT Zielinski, S Campbell, A Seshia, R Jones, M Kalberer, C Giorio
– Aerosol Science and Engineering
Advances in the synthesis and long-term protection of zero-valent iron nanoparticles
AEH Wheatley, J Mehta, B Knappett, G Divitini, E Ringe, P Midgley, D Fairen-Jimenez
– Particle and Particle Systems Characterization
Predicting Pathways Between Distant Configurations for Biomolecules
K Röder, D Wales
– Journal of Chemical Theory and Computation
Cycling Non-Aqueous Li-O2 Batteries with Dimethyl Sulfoxide and Sulfolane Co-Solvent
G Kim, T Liu, I Temprano, E Petrucco, N Barrow, C Grey
– Johnson Matthey Technology Review
Using 2D Structural Alerts to Define Chemical Categories for Molecular Initiating Events
JM Goodman, T Allen, S Gutsell, PJ Russell
– Toxicological Sciences
In situ characterization of advanced glycation end products (AGEs) in collagen and model extracellular matrix by solid state NMR
R Li, R Rajan, WCV Wong, DG Reid, MJ Duer, VJ Somovilla, N Martinez-Saez, GJL Bernardes, R Hayward, CM Shanahan
– Chemical Communications
Large Scale Parallelization in Stochastic Coupled Cluster
JS Spencer, VA Neufeld, WA Vigor, RST Franklin, AJW Thom
Are some packings more equal than others? A direct test of the Edwards conjecture
S Martiniani, KJ Schrenk, K Ramola, B Chakraborty, D Frenkel
– Nature Physics, 13(9), 848 (2017)
Determination of the conformational states of strychnine using NMR residual dipolar couplings in a tensor-free approach
G Tomba, C Camilloni, M Vendruscolo
– Methods
Realignment of the charge-density wave in TiSe_2 by variation of the conduction band population
MM May, C Janowitz, R Manzke
The effect of succinate on brain NADH/NAD+ redox state and high energy phosphate metabolism in acute traumatic brain injury
MG Stovell, M Mada, A Helmy, T Carpenter, E Thelin, J Yan, M Guilfoyle, I Jalloh, DJ Howe, P Grice, A Mason, S Giorgi-Coll, CN Gallagher, M Murphy, DK Menon, P Hutchinson, K Carpenter
– Scientific Reports
Quantifying hidden order out of equilibrium
S Martiniani, PM Chaikin, D Levine
Niobium Tungsten Oxides for High-rate Lithium-ion Charge Storage
KJ Griffith, K Wiaderek, G Cibin, L Marbella, C Grey
– Nature
Anion Exchange Renders Hydrophobic Capsules and Cargoes Water-Soluble
JR Nitschke, EG Percástegui
– Angewandte Chemie - International Edition