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  • Currently displaying 21 - 40 of 20178 publications
Special Issue on Liquid Matter 2017.
D Frenkel
– Journal of Physics: Condensed Matter
(2018)
Optical fibre-tip probes for SERS: numerical study for design considerations
T Hutter, SR Elliott, S Mahajan
– Optics Express
(2018)
26,
15539
Characterising Surfaces of Garnet and Steel, and Adsorption of Organic Additives
J Poon, DC Madden, MH Wood, SM Clarke
– Langmuir
(2018)
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
(2018)
201806010
Using Transition State Modeling To Predict Mutagenicity for Michael Acceptors.
TEH Allen, MN Grayson, JM Goodman, S Gutsell, PJ Russell
– J Chem Inf Model
(2018)
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
(2018)
Extending in Silico Protein Target Prediction Models to Include Functional Effects
LH Mervin, AM Afzal, L Brive, O Engkvist, A Bender
– Frontiers in Pharmacology
(2018)
9,
Energy Landscapes of Mini-Dumbbell DNA Octanucleotides
JS Klimavicz, K Röder, DJ Wales
– Journal of Chemical Theory and Computation
(2018)
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)
(2018)
54,
5988
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
(2018)
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
(2018)
9,
2879
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
(2018)
28,
ARTN 1800345
Quantitative metrics for drug-target ligandability
S Vukovic, DJ Huggins
– Drug Discov Today
(2018)
23,
1258
Living Light 2018: Conference Report
O Onelli, B Wilts, S Vignolini
– Biomimetics
(2018)
3,
11
Solvatomorphism of Reichardt's dye
SJ Pike, AD Bond, CA Hunter
– CrystEngComm
(2018)
20,
2912
Theoretical Prediction of Thermal Polarization.
P Wirnsberger, C Dellago, D Frenkel, A Reinhardt
– Phys Rev Lett
(2018)
120,
226001
Chemical composition of processed bamboo for structural applications
B Sharma, DU Shah, J Beaugrand, ER Janeček, OA Scherman, MH Ramage
– Cellulose
(2018)
25,
3255
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
(2018)
18,
7625
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)
(2018)
54,
5606
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
(2018)

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