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  • Currently displaying 10501 - 10520 of 30236 publications
Author(s)
Publication title
Journal Name
Publication year
The Carbon-Water Interface: Modeling Challenges and Opportunities for the Water-Energy Nexus
A Striolo, A Michaelides, L Joly
Annu Rev Chem Biomol Eng
(2016)
7
Effects of microstructures on hydrogen induced cracking of electrochemically hydrogenated double notched tensile sample of 4340 steel
MH Sk, RA Overfelt, AM Abdullah
Materials Science and Engineering A
(2016)
659
Nuclear Quantum Effects in Water and Aqueous Systems: Experiment, Theory, and Current Challenges
M Ceriotti, W Fang, PG Kusalik, RH McKenzie, A Michaelides, MA Morales, TE Markland
Chemical reviews
(2016)
116
Microfluidic Droplet-Facilitated Hierarchical Assembly for Dual Cargo Loading and Synergistic Delivery
Z Yu, Y Zheng, RM Parker, Y Lan, Y Wu, RJ Coulston, J Zhang, OA Scherman, C Abell
ACS applied materials & interfaces
(2016)
8
Sampling free energy surfaces as slices by combining umbrella sampling and metadynamics.
S Awasthi, V Kapil, NN Nair
Journal of computational chemistry
(2016)
37
Computing the dielectric constant of liquid water at constant dielectric displacement
C Zhang, M Sprik
Physical Review B
(2016)
93
Discovery of a small-molecule binder of the oncoprotein gankyrin that modulates gankyrin activity in the cell.
A Chattopadhyay, CJ O'Connor, F Zhang, C Galvagnion, WRJD Galloway, YS Tan, JE Stokes, T Rahman, C Verma, DR Spring, LS Itzhaki
Sci Rep
(2016)
6
Expanding DP4: Application to drug compounds and automation
K Ermanis, KEB Parkes, T Agback, JM Goodman
Org Biomol Chem
(2016)
14
A general reaction network unifies the aggregation behaviour of the A$β$42 peptide and its variants
G Meisl, X Yang, CM Dobson, S Linse, TPJ Knowles
(2016)
pH-dependent ammonia removal pathways in microbial fuel cell system.
T Kim, J An, H Lee, JK Jang, IS Chang
Bioresource Technology
(2016)
215
Solvent-Free Continuous Operations Using Small Footprint Reactors: A Key Approach for Process Intensification
T Ouchi, RJ Mutton, V Rojas, DE Fitzpatrick, DG Cork, C Battilocchio, SV Ley
ACS Sustainable Chemistry and Engineering
(2016)
4
A general reaction network unifies the aggregation behaviour of the A$β$42 peptide and its variants
G Meisl, X Yang, CM Dobson, S Linse, TPJ Knowles
(2016)
Studies of the Capacity Fade Mechanisms of LiCoO2/Si-Alloy: Graphite Cells
R Petibon, VL Chevrier, CP Aiken, DS Hall, SR Hyatt, R Shunmugasundaram, JR Dahn
Journal of The Electrochemical Society
(2016)
163
(Invited) Investigations into the Chemical Role of Additives in Li-Ion Cells
DS Hall, R Petibon, L Ellis, S Glazier, J Self, M Nie, L Madec, A Xiao, WM Lamanna, K Smith, JR Dahn
ECS Meeting Abstracts
(2016)
MA2016-01
Perspective: How good is DFT for water?
MJ Gillan, D Alfè, A Michaelides
The Journal of Chemical Physics
(2016)
144
On the application of the tolerance factor to inorganic and hybrid halide perovskites: A revised system
W Travis, ENK Glover, H Bronstein, DO Scanlon, RG Palgrave
Chemical Science
(2016)
7
Structure-activity relationship of the peptide binding-motif mediating the BRCA2:RAD51 protein-protein interaction
DE Scott, M Marsh, TL Blundell, C Abell, M Hyvönen
FEBS Lett
(2016)
590
The Adsorption of Synovene on ZDDP Wear Tracks: A Sum Frequency Generation (SFG) Vibrational Spectroscopy Study
MTL Casford, PB Davies, TD Smith, GL Bracchi
Tribology Letters
(2016)
62
Reduction of oxygen in a trialkoxy ammonium-based ionic liquid and the role of water
C Pozo-Gonzalo, M Kar, E Jónsson, PC Howlett, DR MacFarlane, M Forsyth
Electrochimica Acta
(2016)
196
Development of the industrial synthesis of vitamin A
GL Parker, LK Smith, IR Baxendale
Tetrahedron
(2016)
72