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- Currently displaying 6341 - 6360 of 29681 publications
A new scheme for fixed node diffusion quantum Monte Carlo with pseudopotentials: Improving reproducibility and reducing the trial-wave-function bias.
The Journal of Chemical Physics
(2019)
151
134105
(doi: 10.1063/1.5119729)
Formation of metal-organic ligand complexes affects solubility of metals in airborne particles at an urban site in the Po valley.
Chemosphere
(2019)
241
125025
Morphological analysis of chiral rod clusters from a coarse-grained single-site chiral potential
(2019)
(doi: 10.48550/arxiv.1910.00378)
The preparation of cucurbit[8]uril-based hydrogels for delivery applications
(2019)
(doi: 10.17863/CAM.89415)
Inhibiting Analyte Theft in SERS Substrates: sub-Nanomolar Quantitative Drug Detection
ACS Sens
(2019)
4
2988
(doi: 10.1021/acssensors.9b01484)
Systematic development of rationally designed antibodies targeting predetermined epitopes of interest and protein aggregation
(2019)
(doi: 10.17863/CAM.80163)
Prediction of the allergic mechanism of haptens via a reaction-substructure-compound-target-pathway network system.
Toxicol Lett
(2019)
317
68
(doi: 10.1016/j.toxlet.2019.09.019)
COMET: A toolkit for composing customizable genetic programs in mammalian cells
(2019)
(doi: 10.1242/prelights.14175)
Comparing theory and simulation for thermo-osmosis
Journal of Chemical Physics
(2019)
151
124109
(doi: 10.1063/1.5123164)
Text mining assisted review of the literature on Li-O 2 batteries
Journal of Physics Materials
(2019)
2
044004
(doi: 10.1088/2515-7639/ab3611)
Fluorescent Supramolecular Polymersomes Based on Pillararene/Paraquat Molecular Recognition for pH-controlled Drug Release
Chinese Journal of Polymer Science English Edition
(2019)
38
1
(doi: 10.1007/s10118-019-2305-1)
LightGBM: An Effective and Scalable Algorithm for Prediction of Chemical Toxicity−Application to the Tox21 and Mutagenicity Data Sets
J Chem Inf Model
(2019)
59
4150
(doi: 10.1021/acs.jcim.9b00633)
Thermal Engineering of Metal–Organic Frameworks for Adsorption Applications: A Molecular Simulation Perspective
ACS Applied Materials & Interfaces
(2019)
11
38697
(doi: 10.1021/acsami.9b12533)
Pranlukast is a novel small molecule activator of the two-pore domain potassium channel TREK2
Biochemical and biophysical research communications
(2019)
520
35
(doi: 10.1016/j.bbrc.2019.09.093)
Chemical Methods for Selective Labeling of Proteins
European Journal of Organic Chemistry
(2019)
2019
6749
(doi: 10.1002/ejoc.201900801)
Description and evaluation of the UKCA stratosphere-troposphere chemistry scheme (StratTrop vn 1.0) implemented in UKESM1
Geoscientific Model Development
(2019)
1
(doi: 10.5194/gmd-2019-246)
Supplementary material to "Description and evaluation of the UKCA stratosphere-troposphere chemistry scheme (StratTrop vn 1.0) implemented in UKESM1"
(2019)