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- Currently displaying 9741 - 9760 of 31133 publications
Communication: Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces
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
J Chem Phys
(2017)
147
124105
(doi: 10.1063/1.4991795)
Analysis of Ribosome Stalling and Translation Elongation Dynamics by Deep Learning.
Cell Systems
(2017)
5
212
(doi: 10.1016/j.cels.2017.08.004)
Buildup of Redox-Responsive Hybrid from Polyoxometalate and Redox-Active Conducting Oligomer: Its Self-Assemblies with Controllable Morphologies
Chemistry
(2017)
23
14860
(doi: 10.1002/chem.201702857)
X-ray diffraction analysis of cubic zincblende III-nitrides
Journal of Physics D
(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)
Machine learning techniques for improving prediction of unplanned intensive care readmission
(2017)
Machine learning techniques for improving prediction of unplanned intensive care readmission
Intensive Care Medicine Experimental
(2017)
5(Suppl 2)
44
(doi: 10.1186/s40635-017-0151-4)
Kinetic constraints on self-assembly into closed supramolecular structures.
Scientific Reports
(2017)
7
12295
(doi: 10.1038/s41598-017-12528-8)
Pulling with the Pentafluorosulfanyl Acceptor in Push-Pull Dyes.
J Org Chem
(2017)
82
11008
(doi: 10.1021/acs.joc.7b01972)
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)
Role of Salt, Pressure, and Water Activity on Homogeneous Ice Nucleation.
J Phys Chem Lett
(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)
Simultaneous Deep Tunneling and Classical Hopping for Hydrogen Diffusion on Metals.
Physical Review Letters
(2017)
119
126001
Low temperature growth of fully covered single-layer graphene using a CoCu catalyst
Nanoscale
(2017)
9
14467
(doi: 10.1039/c7nr02553j)
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)
Nanopore extended field-effect transistor for selective single-molecule biosensing.
Nature communications
(2017)
8
586
(doi: 10.1038/s41467-017-00549-w)
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)