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- Currently displaying 8201 - 8220 of 29293 publications
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)
Stochastic coupled cluster theory: Efficient sampling of the coupled cluster expansion.
J Chem Phys
(2017)
147
124105
(doi: 10.1063/1.4991795)
Molecular simulation study of CO2 and N2 absorption in a phosphonium based organic ionic plastic crystal
Journal of Chemical Physics
(2017)
147
124703
(doi: 10.1063/1.4993654)
Buildup of Redox‐Responsive Hybrid from Polyoxometalate and Redox‐Active Conducting Oligomer: Its Self‐Assemblies with Controllable Morphologies
Chemistry (Weinheim an der Bergstrasse, Germany)
(2017)
23
14860
(doi: 10.1002/chem.201702857)
X-ray diffraction analysis of cubic zincblende III-nitrides
Journal of Physics D: Applied Physics
(2017)
50
433002
(doi: 10.1088/1361-6463/aa865e)
Target identification of $\textit{Mycobacterium tuberculosis phenotypic}$ hits using a concerted chemogenomic, biophysical and structural approach
Frontiers in pharmacology
(2017)
8
681
(doi: 10.3389/fphar.2017.00681)
ESICM LIVES 2017 : 30th ESICM Annual Congress. September 23-27, 2017.
Intensive Care Medicine Experimental
(2017)
5(Suppl 2)
44
(doi: 10.1186/s40635-017-0151-4)
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)
Kinetic constraints on self-assembly into closed supramolecular structures.
Scientific reports
(2017)
7
12295
(doi: 10.1038/s41598-017-12528-8)
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)
Distinguishing relaxation dynamics in transiently crosslinked polymeric networks
Polymer Chemistry
(2017)
8
5336
(doi: 10.1039/c7py00574a)
Kinetic Analysis of Copper(I)/Feringa-Phosphoramidite Catalyzed AlEt3 1,4-Addition to Cyclohex-2-en-1-one
ACS Catalysis
(2017)
7
6901
(doi: 10.1021/acscatal.7b02198)
Interfacial structure and structural forces in mixtures of ionic liquid with a polar solvent
Faraday discussions
(2017)
206
427
(doi: 10.1039/c7fd00168a)
Role of Salt, Pressure, and Water Activity on Homogeneous Ice Nucleation
J Phys Chem Lett
(2017)
8
4486
(doi: 10.1021/acs.jpclett.7b01551)
Light-Driven H2 Evolution and C=C or C=O Bond Hydrogenation by Shewanella oneidensis: A Versatile Strategy for Photocatalysis by Nonphotosynthetic Microorganisms
ACS Catalysis
(2017)
7
7558
(doi: 10.1021/acscatal.7b02736)
Nanopore extended field-effect transistor for selective single-molecule biosensing.
Nature Communications
(2017)
8
586
(doi: 10.1038/s41467-017-00549-w)
meta‐Selective C−H Borylation of Benzylamine‐, Phenethylamine‐, and Phenylpropylamine‐Derived Amides Enabled by a Single Anionic Ligand
Angewandte Chemie International Edition
(2017)
56
13351
(doi: 10.1002/anie.201708967)