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- Currently displaying 8501 - 8520 of 29621 publications
Exploiting sparsity in free energy basin-hopping
Chemical Physics Letters
(2017)
685
288
(doi: 10.1016/j.cplett.2017.07.081)
Extending the Lifetime of Resonant Atmospheric Particulate Mass Sensors With Solvent Rinses
IEEE Sensors Letters
(2017)
1
1
(doi: 10.1109/LSENS.2017.2734569)
Microscopic Marangoni flows cannot be predicted on the basis of pressure gradients
(2017)
(doi: 10.48550/arxiv.1710.00355)
The Significance of the Amorphous Potential Energy Landscape for Dictating Glassy Dynamics and Driving Solid-State Crystallisation
(2017)
(doi: 10.26434/chemrxiv.5328235.v2)
Harnessing Surface-Functionalized Metal–Organic Frameworks for Selective Tumor Cell Capture
Chemistry of Materials
(2017)
29
8052
Communication: Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces.
The Journal of chemical physics
(2017)
147
121102
(doi: 10.1063/1.4997698)
Molecular simulation study of CO2 and N2 absorption in a phosphonium based organic ionic plastic crystal.
The Journal of chemical physics
(2017)
147
124703
(doi: 10.1063/1.4993654)
Stochastic coupled cluster theory: Efficient sampling of the coupled cluster expansion.
Journal of Chemical Physics
(2017)
147
124105
(doi: 10.1063/1.4991795)
Buildup of Redox-Responsive Hybrid from Polyoxometalate and Redox-Active Conducting Oligomer: Its Self-Assemblies with Controllable Morphologies.
Chemistry - A European Journal
(2017)
23
14860
(doi: 10.1002/chem.201702857)
Target identification of $\textit{Mycobacterium tuberculosis phenotypic}$ hits using a concerted chemogenomic, biophysical and structural approach
Front Pharmacol
(2017)
8
681
(doi: 10.3389/fphar.2017.00681)
X-ray diffraction analysis of cubic zincblende III-nitrides
Journal of Physics D Applied Physics
(2017)
50
433002
(doi: 10.1088/1361-6463/aa865e)
Kinetic constraints on self-assembly into closed supramolecular structures
Sci Rep
(2017)
7
12295
(doi: 10.1038/s41598-017-12528-8)
Pulling with the Pentafluorosulfanyl Acceptor in Push Pull Dyes
The Journal of organic chemistry
(2017)
82
11008
(doi: 10.1021/acs.joc.7b01972)
Machine learning techniques for improving prediction of unplanned intensive care readmission
(2017)
ESICM LIVES 2017
Intensive Care Medicine Experimental
(2017)
5(Suppl 2)
44
(doi: 10.1186/s40635-017-0151-4)
What makes a good descriptor for heterogeneous ice nucleation on OH-patterned surfaces
Physical Review B
(2017)
96
115441
(doi: 10.1103/PhysRevB.96.115441)
Role of Salt, Pressure, and Water Activity on Homogeneous Ice Nucleation.
The journal of physical chemistry letters
(2017)
8
4486
(doi: 10.1021/acs.jpclett.7b01551)
Interfacial structure and structural forces in mixtures of ionic liquid with a polar solvent.
Faraday Discussions
(2017)
206
427
(doi: 10.1039/c7fd00168a)
Distinguishing relaxation dynamics in transiently crosslinked polymeric networks
Polymer Chemistry
(2017)
8
5336
(doi: 10.1039/c7py00574a)