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  • Currently displaying 8541 - 8560 of 29657 publications
Author(s)
Publication title
Journal Name
Publication year
Exploiting sparsity in free energy basin-hopping
KH Sutherland-Cash, RG Mantell, DJ Wales
Chemical Physics Letters
(2017)
685
Extending the Lifetime of Resonant Atmospheric Particulate Mass Sensors With Solvent Rinses
AT Zielinski, NE Weckman, RL Jones, M Kalberer, AA Seshia
IEEE Sensors Letters
(2017)
1
Continuous Preparation and Use of Dibromoformaldoxime as a Reactive Intermediate for the Synthesis of 3‑Bromoisoxazolines
C Battilocchio, F Bosica, SM Rowe, B Lacerda Abreu, E Godineau, M Lehmann, SV Ley
Organic Process Research & Development
(2017)
21
Harnessing surface-functionalized metal-organic frameworks for selective tumor cell capture
AEH Wheatley, X Qi, Z Chang, D Zhang, KJ Binder, S Shen, YYS Huang, Y Bai, H Liu
Chemistry of Materials
(2017)
29
The Significance of the Amorphous Potential Energy Landscape for Dictating Glassy Dynamics and Driving Solid-State Crystallisation
MT Ruggiero, M Krynski, EO Kissi, J Sibik, D Markl, NY Tan, D Arslanov, W van der Zande, B Redlich, TM Korter, H Grohganz, K Lobmann, T Rades, SR Elliott, JA Zeitler
(2017)
Communication: Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces
M Fitzner, L Joly, M Ma, GC Sosso, A Zen, A Michaelides
The Journal of chemical physics
(2017)
147
Molecular simulation study of CO2 and N2 absorption in a phosphonium based organic ionic plastic crystal
VS Kandagal, F Chen, E Jónsson, JM Pringle, M Forsyth
Journal of Chemical Physics
(2017)
147
Stochastic coupled cluster theory: Efficient sampling of the coupled cluster expansion
CJC Scott, AJW Thom
The Journal of chemical physics
(2017)
147
Buildup of Redox‐Responsive Hybrid from Polyoxometalate and Redox‐Active Conducting Oligomer: Its Self‐Assemblies with Controllable Morphologies
S She, Z Huang, P Yin, A Bayaguud, H Jia, Y Huang, Y Wei, Y Wei
Chemistry - A European Journal
(2017)
23
Target identification of $\textit{Mycobacterium tuberculosis phenotypic}$ hits using a concerted chemogenomic, biophysical and structural approach
G Mugumbate, V Silva E Costa Mendes, M Blaszczyk, M Sabbah, G Papadatos, J Lelievre, L Ballell, D Barros, C Abell, TL Blundell, JP Overington
Frontiers in pharmacology
(2017)
8
X-ray diffraction analysis of cubic zincblende III-nitrides
M Frentrup, LYL Lee, S-L Sahonta, MJ Kappers, F Massabuau, P Gupta, RA Oliver, CJ Humphreys, DJ Wallis
Journal of Physics D Applied Physics
(2017)
50
Pulling with the Pentafluorosulfanyl Acceptor in Push–Pull Dyes
P Gautam, CP Yu, G Zhang, VE Hillier, JMW Chan
The Journal of Organic Chemistry
(2017)
82
Machine learning techniques for improving prediction of unplanned intensive care readmission
A Ercole, R Desautels, R Das, J Calvert, M Trivedi, C Summers, D Wales
(2017)
Kinetic constraints on self-assembly into closed supramolecular structures.
TCT Michaels, MMJ Bellaiche, MF Hagan, TPJ Knowles
Scientific Reports
(2017)
7
ESICM LIVES 2017 30th ESICM Annual Congress. September 23-27, 2017 Abstracts
Intensive Care Medicine Experimental
(2017)
5(Suppl 2)
What makes a good descriptor for heterogeneous ice nucleation on OH-patterned surfaces
P Pedevilla, M Fitzner, A Michaelides
Physical Review B
(2017)
96
Interfacial structure and structural forces in mixtures of ionic liquid with a polar solvent.
SW Coles, AM Smith, MV Fedorov, F Hausen, S Perkin
Faraday Discuss
(2017)
206
Distinguishing relaxation dynamics in transiently crosslinked polymeric networks
CSY Tan, G Agmon, J Liu, D Hoogland, E-R Janeček, EA Appel, OA Scherman
Polymer Chemistry
(2017)
8
Kinetic Analysis of Copper(I)/Feringa-Phosphoramidite Catalyzed AlEt3 1,4-Addition to Cyclohex-2-en-1-one
D Willcox, R Nouch, A Kingsbury, D Robinson, JV Carey, S Brough, S Woodward
ACS Catalysis
(2017)
7
Role of Salt, Pressure, and Water Activity on Homogeneous Ice Nucleation.
JR Espinosa, GD Soria, J Ramirez, C Valeriani, C Vega, E Sanz
The journal of physical chemistry letters
(2017)
8