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- Currently displaying 2021 - 2040 of 30391 publications
kinisi: Bayesian analysis of mass transport from molecular dynamics simulations
Journal of Open Source Software
(2024)
9
5984
(doi: 10.21105/joss.05984)
Insights into Drug Cardiotoxicity from Biological and Chemical Data: The First Public Classifiers for FDA Drug-Induced Cardiotoxicity Rank
Journal of Chemical Information and Modeling
(2024)
64
1172
(doi: 10.1021/acs.jcim.3c01834)
Charge-Dependent Crossover in Aqueous Organic Redox Flow Batteries Revealed Using Online NMR Spectroscopy
The journal of physical chemistry letters
(2024)
15
1515
(doi: 10.1021/acs.jpclett.3c03482)
How do cicadas emerge together? Thermophysical aspects of their collective decision-making
Phys Rev E
(2024)
109
l022401
(doi: 10.1103/physreve.109.l022401)
Configuration of ammonia on Cu{311}: Infrared spectroscopy and first-principles theory
Journal of Chemical Physics
(2024)
160
054703
(doi: 10.1063/5.0187552)
Mechanical properties of DNA govern nucleosome unwrapping
Biophysical Journal
(2024)
123
83a
(doi: 10.1016/j.bpj.2023.11.568)
PyTASER: Simulating transient absorption spectroscopy (TAS) for crystals from first principles
Journal of Open Source Software
(2024)
9
5999
(doi: 10.21105/joss.05999)
Imaging Aβ aggregation by liquid-phase transmission electron microscopy
(2024)
(doi: 10.1101/2024.01.29.577710)
Transient interactions between the fuzzy coat and the cross-β core of brain-derived Aβ42 filaments
(2024)
(doi: 10.21203/rs.3.rs-3847495/v1)
The Development and Application of Ultra-sensitive Protein Aggregate Detection Techniques
(2024)
(doi: 10.17863/CAM.111027)
Rationale for the Extrapolation Procedure in Selected Configuration Interaction
(2024)
(doi: 10.48550/arxiv.2312.12530)
Solar reforming as an emerging technology for circular chemical industries.
Nature reviews. Chemistry
(2024)
8
87
(doi: 10.1038/s41570-023-00567-x)
Towards practical metal–oxygen batteries: general discussion
Faraday Discussions
(2024)
248
392
(doi: 10.1039/d3fd90062b)
Materials for stable metal-oxygen battery cathodes: general discussion
Faraday Discussions
(2024)
248
75
(doi: 10.1039/d3fd90059b)
Engineering considerations for practical lithium-air electrolytes.
Faraday Discuss
(2024)
248
355
(doi: 10.1039/d3fd00091e)
Solvent-dependent iodide interactions in LiO2 electrolytes - a molecular dynamics study.
Faraday Discuss
(2024)
248
145
(doi: 10.1039/d3fd00090g)
Synthesis and Structure-Activity Relationship Studies of Dioxane- and Oxathiane-Based Analogs of (–)-Zampanolide
(2024)
(doi: 10.26434/chemrxiv-2024-nwb48)
Input and output files supporting Extension, Development and Evaluation of the representation of the OH-initiated DMS oxidation mechanism in the MCM v3.3.1 framework
(2024)
(doi: 10.17863/CAM.101652)