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  • Currently displaying 11661 - 11680 of 31591 publications
Author(s)
Publication title
Journal Name
Publication year
Perspective: How good is DFT for water?
MJ Gillan, D Alfè, A Michaelides
J Chem Phys
(2016)
144
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
Exploiting molecular dynamics in Nested Sampling simulations of small peptides
NS Burkoff, RJN Baldock, C Várnai, DL Wild, G Csányi
Computer Physics Communications
(2016)
201
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
Corrigendum: Anion Recognition in Water: Recent Advances from a Supramolecular and Macromolecular Perspective
MJ Langton, CJ Serpell, PD Beer
Angewandte Chemie International Edition
(2016)
55
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
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
Development of the industrial synthesis of vitamin A
GL Parker, LK Smith, IR Baxendale
Tetrahedron
(2016)
72
Stratospheric ozone changes under solar geoengineering: implications for UV exposure and air quality
PJ Nowack, NL Abraham, P Braesicke, JA Pyle
Atmospheric Chemistry and Physics
(2016)
16
Target identification of covalently binding drugs by activity-based protein profiling (ABPP)
CM Pichler, J Krysiak, R Breinbauer
Bioorganic & Medicinal Chemistry
(2016)
24
Hot nano-particles in polar or paramagnetic liquids interact as monopoles
D Frenkel
(2016)
Synthesizing Nitrogen‐Doped Core–Sheath Carbon Nanotube Films for Flexible Lithium Ion Batteries
Z Pan, J Ren, G Guan, X Fang, B Wang, S Doo, IH Son, X Huang, H Peng
Advanced Energy Materials
(2016)
6
Energy landscapes for a machine learning application to series data.
AJ Ballard, JD Stevenson, R Das, DJ Wales
The Journal of Chemical Physics
(2016)
144
Applications of Microdroplet Technology for Algal Biotechnology
R Best, S Abalde-Cela, C Abell, A G. Smith
Current Biotechnology
(2016)
5
Analysis of the length distribution of amyloid fibrils by centrifugal sedimentation
P Arosio, T Cedervall, TPJ Knowles, S Linse
Analytical Biochemistry
(2016)
504
Strong Coupling between Nanofluidic Transport and Interfacial Chemistry: How Defect Reactivity Controls Liquid-Solid Friction through Hydrogen Bonding
L Joly, G Tocci, S Merabia, A Michaelides
Journal of Physical Chemistry Letters
(2016)
7
Recent Advances in the Synthesis of Cyclobutanes by Olefin [2 +2] Photocycloaddition Reactions
S Poplata, A Tröster, Y-Q Zou, T Bach
Chem Rev
(2016)
116
Binding Mode and Induced Fit Predictions for Prospective Computational Drug Design.
C Grebner, J Iegre, J Ulander, K Edman, A Hogner, C Tyrchan
Journal of chemical information and modeling
(2016)
56
ChemInform Abstract: Copper‐Catalyzed [2 + 1] Annulation of Acetophenones with Maleimides: Direct Synthesis of Cyclopropanes.
S Manna, AP Antonchick
ChemInform
(2016)
47
Kinetic analysis reveals the diversity of microscopic mechanisms through which molecular chaperones suppress amyloid formation
P Arosio, TCT Michaels, S Linse, C Månsson, C Emanuelsson, J Presto, J Johansson, M Vendruscolo, CM Dobson, TPJ Knowles
Nat Commun
(2016)
7