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- Currently displaying 7081 - 7100 of 30214 publications
Performance of interFoam on the simulation of progressive waves
Coastal Engineering Journal
(2019)
61
380
A General Approach for Multireference Ground and Excited States using Non-Orthogonal Configuration Interaction
(2019)
(doi: 10.26434/chemrxiv.8089307.v1)
Impact of anthropogenic and biogenic sources on the seasonal variation in the molecular composition of urban organic aerosols: A field and laboratory study using ultra-high-resolution mass spectrometry
Atmospheric Chemistry and Physics
(2019)
19
5973
(doi: 10.5194/acp-19-5973-2019)
Embedding and Positioning of Two FeII4L4 Cages in Supramolecular Tripeptide Gels for Selective Chemical Segregation
Angewandte Chemie
(2019)
131
8066
(doi: 10.1002/ange.201900429)
Embedding and Positioning of Two FeII4L4 Cages in Supramolecular Tripeptide Gels for Selective Chemical Segregation
Angewandte Chemie International Edition
(2019)
58
7982
(doi: 10.1002/anie.201900429)
A General Approach for Multireference Ground and Excited States using Non-Orthogonal Configuration Interaction
(2019)
(doi: 10.48550/arxiv.1905.02626)
Quaternary Ammonium Salt Based NIR-II Probes for In Vivo Imaging
Advanced Optical Materials
(2019)
7
1900229
(doi: 10.1002/adom.201900229)
Quaternization of Vinyl/Alkynyl Pyridine Enables Ultrafast Cysteine-Selective Protein Modification and Charge Modulation.
Angewandte Chemie (International ed. in English)
(2019)
58
6640
(doi: 10.1002/anie.201901405)
Insights into mechanisms and severity of drug-induced liver injury via computational systems toxicology approach
Toxicol Lett
(2019)
312
22
(doi: 10.1016/j.toxlet.2019.05.005)
Integrating Hi-C and FISH data for modeling of the 3D organization of chromosomes
Nature Communications
(2019)
10
2049
(doi: 10.1038/s41467-019-10005-6)
Dissecting celastrol with machine learning to unveil dark pharmacology.
Chem Commun (Camb)
(2019)
55
6369
(doi: 10.1039/c9cc03116b)
Probing the Origin of the Toxicity of Oligomeric Aggregates of α‑Synuclein with Antibodies
ACS Chemical Biology
(2019)
14
1352
(doi: 10.1021/acschembio.9b00312)
Intrinsically aggregation-prone proteins form amyloid-like aggregates and contribute to tissue aging in Caenorhabditis elegans
eLife
(2019)
8
e43059
(doi: 10.7554/eLife.43059)
Computational Fluorine Scanning Using Free-Energy Perturbation.
J Chem Inf Model
(2019)
59
2776
(doi: 10.1021/acs.jcim.9b00228)
Radiative Effects of Residential Sector Emissions in China: Sensitivity to Uncertainty in Black Carbon Emissions
Journal of Geophysical Research: Atmospheres
(2019)
124
5029
(doi: 10.1029/2018JD030120)
Sustainability of using vineyard pruning residues as an energy source: Combustion performances and environmental impact
Fuel
(2019)
243
371
(doi: 10.1016/j.fuel.2019.01.128)
ESPResSo++2.0: Advanced methods for multiscale molecular simulation
Computer Physics Communications
(2019)
238
66
(doi: 10.1016/j.cpc.2018.12.017)
Carboxylate‐Assisted Oxidative Addition to Aminoalkyl PdII Complexes: C(sp3)−H Arylation of Alkylamines by Distinct PdII/PdIV Pathway
Angewandte Chemie (International ed. in English)
(2019)
58
9054
(doi: 10.1002/anie.201902838)
Computational advances in combating colloidal aggregation in drug discovery
Nature Chemistry
(2019)
11
402
(doi: 10.1038/s41557-019-0234-9)