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  • Currently displaying 8501 - 8520 of 29634 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
Microscopic Marangoni flows cannot be predicted on the basis of pressure gradients
Y Liu, R Ganti, HGA Burton, X Zhang, W Wang, D Frenkel
(2017)
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
Photoelectrochemistry of Photosystem II in Vitro vs in Vivo
JZ Zhang, P Bombelli, KP Sokol, A Fantuzzi, AW Rutherford, CJ Howe, E Reisner
J Am Chem Soc
(2017)
140
Disorder in convergent floral nanostructures enhances signalling to bees.
E Moyroud, T Wenzel, R Middleton, PJ Rudall, H Banks, A Reed, G Mellers, P Killoran, MM Westwood, U Steiner, S Vignolini, BJ Glover
Nature
(2017)
550
Expanding and reprogramming the genetic code
JW Chin
Nature
(2017)
550
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
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)
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
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
The Journal of Chemical Physics
(2017)
147
Stochastic coupled cluster theory: Efficient sampling of the coupled cluster expansion.
CJC Scott, AJW Thom
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
(2017)
50
Pulling with the Pentafluorosulfanyl Acceptor in Push–Pull Dyes
P Gautam, CP Yu, G Zhang, VE Hillier, JMW Chan
J Org Chem
(2017)
82
Kinetic constraints on self-assembly into closed supramolecular structures.
TCT Michaels, MMJ Bellaiche, MF Hagan, TPJ Knowles
Sci Rep
(2017)
7
ESICM LIVES 2017 : 30th ESICM Annual Congress. September 23-27, 2017.
Intensive Care Med Exp
(2017)
5
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)
What makes a good descriptor for heterogeneous ice nucleation on OH-patterned surfaces
P Pedevilla, M Fitzner, A Michaelides
Physical Review B
(2017)
96
Role of Salt, Pressure, and Water Activity on Homogeneous Ice Nucleation
JR Espinosa, GD Soria, J Ramirez, C Valeriani, C Vega, E Sanz
J Phys Chem Lett
(2017)
8