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  • Currently displaying 61 - 80 of 20259 publications
Study of defect chemistry in the system La<inf>2- x</inf>Sr<inf>x</inf>NiO<inf>4+ δ</inf>by<sup>17</sup>O solid-state NMR spectroscopy and Ni K-edge XANES
DM Halat, MT Dunstan, MW Gaultois, S Britto, CP Grey
– Chemistry of Materials
Estimates of ozone return dates from Chemistry-Climate Model Initiative simulations
SS Dhomse, D Kinnison, MP Chipperfield, RJ Salawitch, I Cionni, MI Hegglin, NL Abraham, H Akiyoshi, AT Archibald, EM Bednarz, S Bekki, P Braesicke, N Butchart, M Dameris, M Deushi, S Frith, SC Hardiman, B Hassler, LW Horowitz, RM Hu, P Jöckel, B Josse, O Kirner, S Kremser, U Langematz, J Lewis, M Marchand, M Lin, E Mancini, V Marécal, M Michou, O Morgenstern, FM O'Connor, L Oman, G Pitari, DA Plummer, JA Pyle, LE Revell, E Rozanov, R Schofield, A Stenke, K Stone, K Sudo, S Tilmes, D Visioni, Y Yamashita, G Zeng
– Atmospheric Chemistry and Physics
Potential impacts of emissions associated with unconventional hydrocarbon extraction on UK air quality and human health
AT Archibald, C Ordóñez, E Brent, ML Williams
– Air Quality, Atmosphere & Health
Special Issue on Liquid Matter 2017.
D Frenkel
– Journal of Physics: Condensed Matter
On the role of sidechain size and charge in the aggregation of A beta 42 with familial mutations
X Yang, G Meisl, B Frohm, E Thulin, TPJ Knowles, S Linse
– Proceedings of the National Academy of Sciences of the United States of America
Optical fibre-tip probes for SERS: numerical study for design considerations
T Hutter, SR Elliott, S Mahajan
– Optics Express
Extending in Silico Protein Target Prediction Models to Include Functional Effects.
LH Mervin, AM Afzal, L Brive, O Engkvist, A Bender
– Front Pharmacol
Direct observation and rational design of nucleation behavior in addressable self-assembly
M Sajfutdinow, WM Jacobs, A Reinhardt, C Schneider, DM Smith
– Proceedings of the National Academy of Sciences of the United States of America
Solar Water Splitting with a Hydrogenase Integrated in Photoelectrochemical Tandem Cells.
DH Nam, JZ Zhang, V Andrei, N Kornienko, N Heidary, A Wagner, K Nakanishi, KP Sokol, B Slater, I Zebger, S Hofmann, JC Fontecilla-Camps, CB Park, E Reisner
– Angew Chem Int Ed Engl
Towards an atomistic understanding of disordered carbon electrode materials
VL Deringer, C Merlet, Y Hu, TH Lee, JA Kattirtzi, O Pecher, G Csányi, SR Elliott, CP Grey
– Chemical communications (Cambridge, England)
Energy Landscapes of Mini-Dumbbell DNA Octanucleotides
JS Klimavicz, K Röder, DJ Wales
– Journal of Chemical Theory and Computation
Sequencing 5-hydroxymethyluracil at single-base resolution.
F Kawasaki, S Martínez Cuesta, D Beraldi, A Mahtey, RE Hardisty, M Carrington, S Balasubramanian
– Angew Chem Int Ed Engl
Realistic Atomistic Structure of Amorphous Silicon from Machine-Learning-Driven Molecular Dynamics
VL Deringer, N Bernstein, AP Bartók, MJ Cliffe, RN Kerber, LE Marbella, CP Grey, SR Elliott, G Csányi
– Journal of Physical Chemistry Letters
Defining Hsp33's Redox-regulated Chaperone Activity and Mapping Conformational Changes on Hsp33 Using Hydrogen-deuterium Exchange Mass Spectrometry.
R Fassler, N Edinger, O Rimon, D Reichmann
– Journal of visualized experiments : JoVE
(DOI: 10.3791/57806)
In Situ Self-Assembled Polyoxotitanate Cages on Flexible Cellulosic Substrates: Multifunctional Coating for Hydrophobic, Antibacterial and UV-Blocking Applications
N Li, D Pranantyo, ET Kang, DS Wright, HK Luo
– Advanced Functional Materials
ARTN 1800345
Spin State Chemistry: Modulation of Ligand p K
S Dhers, A Mondal, D Aguilà, J Ramírez, S Vela, P Dechambenoit, M Rouzières, JR Nitschke, R Clérac, J-M Lehn
– Journal of the American Chemical Society
Quantitative metrics for drug-target ligandability.
S Vukovic, DJ Huggins
– Drug Discov Today
Functionalized Cellulose for Water Purification, Antimicrobial Applications, and Sensors
K Bethke, S Palantoeken, V Andrei, M Ross, VS Raghuwanshi, F Kettemann, K Greis, TTK Ingber, JB Stueckrath, S Valiyaveettil, K Rademann
ARTN 1800409
Monolithic Photoelectrochemical Device for Direct Water Splitting with 19% Efficiency
WH Cheng, MH Richter, MM May, J Ohlmann, D Lackner, F Dimroth, T Hannappel, HA Atwater, HJ Lewerenz
– ACS Energy Letters
Crystallization at Solvent Interfaces Enables Access to a Variety of Cocrystal Polymorphs and Hydrates
SJ Diez, MD Eddleston, M Arhangelskis, M Milbled, MJ Mueller, AD Bond, D-K Bucar, W Jones