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  • Currently displaying 7221 - 7240 of 30861 publications
Author(s)
Publication title
Journal Name
Publication year
A new scheme for fixed node diffusion quantum Monte Carlo with pseudopotentials: Improving reproducibility and reducing the trial-wave-function bias.
A Zen, JG Brandenburg, A Michaelides, D Alfè
Journal of Chemical Physics
(2019)
151
Multivalent Supramolecular Systems
P Motloch
(2019)
Molecular interactions and their impact on life sciences
T Scheidt
(2019)
Inhibiting Analyte Theft in Surface-Enhanced Raman Spectroscopy Substrates: Subnanomolar Quantitative Drug Detection.
B de Nijs, C Carnegie, I Szabó, D-B Grys, R Chikkaraddy, M Kamp, SJ Barrow, CA Readman, M-E Kleemann, OA Scherman, E Rosta, JJ Baumberg
ACS Sens
(2019)
4
Prediction of the allergic mechanism of haptens via a reaction-substructure-compound-target-pathway network system
P Di, Z Wu, H Yang, W Li, Y Tang, G Liu
Toxicol Lett
(2019)
317
Systematic development of rationally designed antibodies targeting predetermined epitopes of interest and protein aggregation
S Ness
(2019)
COMET: A toolkit for composing customizable genetic programs in mammalian cells
Z-H Goh
(2019)
Comparing theory and simulation for thermo-osmosis
K Proesmans, D Frenkel
Journal of Chemical Physics
(2019)
151
Fluorescent Supramolecular Polymersomes Based on Pillararene/Paraquat Molecular Recognition for pH-controlled Drug Release
R Zhao, Y-J Zhou, K-C Jie, J Yang, S Perrier, F-H Huang
Chinese Journal of Polymer Science
(2019)
38
Text mining assisted review of the literature on Li-O2 batteries
A Torayev, PCMM Magusin, CP Grey, C Merlet, AA Franco
Jphys Materials
(2019)
2
LightGBM: An Effective and Scalable Algorithm for Prediction of Chemical Toxicity–Application to the Tox21 and Mutagenicity Data Sets
J Zhang, D Mucs, U Norinder, F Svensson
Journal of Chemical Information and Modeling
(2019)
59
Optofluidic Microreactors for Advanced Photocatalysis
P Koehler
(2019)
Pranlukast is a novel small molecule activator of the two-pore domain potassium channel TREK2.
PD Wright, D McCoull, Y Walsh, JM Large, BW Hadrys, E Gaurilcikaite, L Byrom, EL Veale, J Jerman, A Mathie
Biochem Biophys Res Commun
(2019)
520
Chemical Methods for Selective Labeling of Proteins
DG Rawale, K Thakur, SR Adusumalli, V Rai
European Journal of Organic Chemistry
(2019)
2019
Thermal Engineering of Metal-Organic Frameworks for Adsorption Applications: A Molecular Simulation Perspective
J Wieme, S Vandenbrande, A Lamaire, V Kapil, L Vanduyfhuys, V Van Speybroeck
ACS Applied Materials & Interfaces
(2019)
11
Description and evaluation of the UKCA stratosphere-troposphere chemistry scheme (StratTrop vn 1.0) implemented in UKESM1
AT Archibald, FM O'Connor, NL Abraham, S Archer-Nicholls, MP Chipperfield, M Dalvi, GA Folberth, F Dennison, SS Dhomse, PT Griffiths, C Hardacre, AJ Hewitt, R Hill, CE Johnson, J Keeble, MO Köhler, O Morgenstern, JP Mulchay, C Ordóñez, RJ Pope, S Rumbold, MR Russo, N Savage, A Sellar, M Stringer, S Turnock, O Wild, G Zeng
Geoscientific Model Development
(2019)
Supplementary material to "Description and evaluation of the UKCA stratosphere-troposphere chemistry scheme (StratTrop vn 1.0) implemented in UKESM1"
AT Archibald, FM O'Connor, NL Abraham, S Archer-Nicholls, MP Chipperfield, M Dalvi, GA Folberth, F Dennison, SS Dhomse, PT Griffiths, C Hardacre, AJ Hewitt, R Hill, CE Johnson, J Keeble, MO Köhler, O Morgenstern, JP Mulchay, C Ordóñez, RJ Pope, S Rumbold, MR Russo, N Savage, A Sellar, M Stringer, S Turnock, O Wild, G Zeng
(2019)
Identifying mechanistically distinct pathways in kinetic transition networks.
DJ Sharpe, DJ Wales
The Journal of Chemical Physics
(2019)
151
An Intrinsic Photothermal Liquid for Light Detection and Energy Storage
Z Wang, X Lian, R Li, X Tao, Y Wang
Chemistry – A European Journal
(2019)
25
Coronary Artery Microcalcification: Imaging and Clinical Implications.
F Vancheri, G Longo, S Vancheri, JSH Danial, MY Henein
Diagnostics (Basel)
(2019)
9