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Direct single-molecule dynamic detection of chemical reactions. [PDF]
Science Advances, 2018 Single-molecule detection can reveal time trajectories and reaction pathways of individual intermediates/transition states in chemical reactions and biological processes, which is of fundamental importance to elucidate their intrinsic mechanisms.
Gu, Chunhui +10 more
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California Agriculture, 1961 California Agriculture - All ...
California Agriculture
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The intertwined physics of active chemical reactions and phase separation [PDF]
Current Opinion in Colloid & Interface Science, 2022 Phase separation is the thermodynamic process that explains how droplets form in multicomponent fluids. These droplets can provide controlled compartments to localize chemical reactions, and reactions can also affect the droplets' dynamics.
David Zwicker
semanticscholar +1 more source
Quantum Effects in Chemical Reactions under Polaritonic Vibrational Strong Coupling. [PDF]
Journal of Physical Chemistry Letters, 2021 The electromagnetic field in an optical cavity can dramatically modify and even control chemical reactivity via vibrational strong coupling (VSC). Since the typical vibration and cavity frequencies are considerably larger than thermal energy, it is ...
Pei-Yun Yang, Jianshu Cao
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Controlling biomolecular condensates via chemical reactions [PDF]
Journal of the Royal Society Interface, 2021 Biomolecular condensates are small droplets forming spontaneously in biological cells through phase separation. They play a role in many cellular processes, but it is unclear how cells control them.
Jan Kirschbaum, David Zwicker
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Polymer Grafting and its chemical reactions
Frontiers in Bioengineering and Biotechnology, 2023 Polymer grafting is a technique to improve the morphology, chemical, and physical properties of the polymer. This technique has the potential to improve the existing conduction and properties of polymers other than charge transport; as a result, it ...
P. Purohit +4 more
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Bayesian Optimization for Chemical Reactions.
Chimia (Basel), 2023 Reaction optimization is challenging and traditionally delegated to domain experts who iteratively propose increasingly optimal experiments. Problematically, the reaction landscape is complex and often requires hundreds of experiments to reach ...
Jeff Guo, Bojana Ranković, P. Schwaller
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Extraction of organic chemistry grammar from unsupervised learning of chemical reactions
Science Advances, 2021 RXNmapper constructs coherent atom-mapping rules from raw chemical reactions using unsupervised training of neural networks. Humans use different domain languages to represent, explore, and communicate scientific concepts.
P. Schwaller +4 more
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Mapping the space of chemical reactions using attention-based neural networks [PDF]
Nature Machine Intelligence, 2020 Organic reactions are usually assigned to classes containing reactions with similar reagents and mechanisms. Reaction classes facilitate the communication of complex concepts and efficient navigation through chemical reaction space.
P. Schwaller +6 more
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Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph Edits [PDF]
Journal of Chemical Information and Modeling, 2020 The central challenge in automated synthesis planning is to be able to generate and predict outcomes of a diverse set of chemical reactions. In particular, in many cases, the most likely synthesis pathway cannot be applied due to additional constraints ...
Mikolaj Sacha +4 more
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