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Currently displaying 7721 - 7740 of 29372 publications

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,

124703

(doi: 10.1063/1.4993654)

Stochastic coupled cluster theory: Efficient sampling of the coupled cluster expansion.

CJC Scott, AJW Thom

– J Chem Phys

(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.

S She, Z Huang, P Yin, A Bayaguud, H Jia, Y Huang, Y Wei, Y Wei

– Chemistry (Weinheim an der Bergstrasse, Germany)

(2017)

23,

14860

(doi: 10.1002/chem.201702857)

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

– Front Pharmacol

(2017)

681

(doi: 10.3389/fphar.2017.00681)

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,

433002

(doi: 10.1088/1361-6463/aa865e)

Kinetic constraints on self-assembly into closed supramolecular structures.

TCT Michaels, MMJ Bellaiche, MF Hagan, TPJ Knowles

– Sci Rep

(2017)

12295

(doi: 10.1038/s41598-017-12528-8)

ESICM LIVES 2017 : 30th ESICM Annual Congress. September 23-27, 2017.

– Intensive Care Medicine Experimental

(2017)

5(Suppl 2),

(doi: 10.1186/s40635-017-0151-4)

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,

115441

(doi: 10.1103/physrevb.96.115441)

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,

427

(doi: 10.1039/c7fd00168a)

Role of Salt, Pressure, and Water Activity on Homogeneous Ice Nucleation.

JR Espinosa, GD Soria, J Ramirez, C Valeriani, C Vega, E Sanz

– Journal of Physical Chemistry Letters

(2017)

4486

(doi: 10.1021/acs.jpclett.7b01551)

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)

6901

(doi: 10.1021/acscatal.7b02198)

Distinguishing relaxation dynamics in transiently crosslinked polymeric networks

CSY Tan, G Agmon, J Liu, D Hoogland, ER Janeček, EA Appel, OA Scherman

– Polymer Chemistry

(2017)

5336

(doi: 10.1039/c7py00574a)

meta‐Selective C−H Borylation of Benzylamine‐, Phenethylamine‐, and Phenylpropylamine‐Derived Amides Enabled by a Single Anionic Ligand

HJ Davis, GR Genov, RJ Phipps

– Angewandte Chemie International Edition

(2017)

56,

13351

(doi: 10.1002/anie.201708967)

Light-Driven H2 Evolution and C═C or C═O Bond Hydrogenation by Shewanella oneidensis: A Versatile Strategy for Photocatalysis by Nonphotosynthetic Microorganisms

SF Rowe, G Le Gall, EV Ainsworth, JA Davies, CWJ Lockwood, L Shi, A Elliston, IN Roberts, KW Waldron, DJ Richardson, TA Clarke, LJC Jeuken, E Reisner, JN Butt

– ACS Catalysis

(2017)

7558

(doi: 10.1021/acscatal.7b02736)