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  • Currently displaying 21 - 40 of 20178 publications
Special Issue on Liquid Matter 2017.
D Frenkel
– Journal of Physics: Condensed Matter
Optical fibre-tip probes for SERS: numerical study for design considerations
T Hutter, SR Elliott, S Mahajan
– Optics Express
Characterising Surfaces of Garnet and Steel, and Adsorption of Organic Additives
J Poon, DC Madden, MH Wood, SM Clarke
– Langmuir
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
Using Transition State Modeling To Predict Mutagenicity for Michael Acceptors.
TEH Allen, MN Grayson, JM Goodman, S Gutsell, PJ Russell
– J Chem Inf Model
Solar Water Splitting with a Hydrogenase Integrated in Photoelectrochemical Tandem Cells.
DH Nam, J Zhang, V Andrei, N Kornienko, N Heidary, A Wagner, K Nakanishi, K Sokol, B Slater, I Zebger, S Hofmann, J Fontecilla-Camps, CB Park, E Reisner
– Angew Chem Int Ed Engl
Extending in Silico Protein Target Prediction Models to Include Functional Effects
LH Mervin, AM Afzal, L Brive, O Engkvist, A Bender
– Frontiers in Pharmacology
Energy Landscapes of Mini-Dumbbell DNA Octanucleotides
JS Klimavicz, K Röder, DJ Wales
– Journal of Chemical Theory and Computation
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)
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
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
Quantitative metrics for drug-target ligandability
S Vukovic, DJ Huggins
– Drug Discov Today
Living Light 2018: Conference Report
O Onelli, B Wilts, S Vignolini
– Biomimetics
Solvatomorphism of Reichardt's dye
SJ Pike, AD Bond, CA Hunter
– CrystEngComm
Theoretical Prediction of Thermal Polarization.
P Wirnsberger, C Dellago, D Frenkel, A Reinhardt
– Phys Rev Lett
Chemical composition of processed bamboo for structural applications
B Sharma, DU Shah, J Beaugrand, ER Janeček, OA Scherman, MH Ramage
– Cellulose
On ozone trend detection: Using coupled chemistry-climate simulations to investigate early signs of total column ozone recovery
J Keeble, H Brown, NL Abraham, NRP Harris, JA Pyle
– Atmospheric Chemistry and Physics
Organic Photocatalysis for the Radical Couplings of Boronic Acid Derivatives in Batch and Flow
F Lima, L Grunenberg, HBA Rahman, R Labes, J Sedelmeier, SV Ley
– Chemical communications (Cambridge, England)
Ultrastructure and optics of the prism-like petal epidermal cells of Eschscholzia californica (California poppy).
BD Wilts, PJ Rudall, E Moyroud, T Gregory, Y Ogawa, S Vignolini, U Steiner, BJ Glover
– New Phytol