Results 21 to 30 of about 919,666 (317)
Structural Dynamics, 2016 The [Au(CN)2−]3 trimer in water experiences a strong van der Waals interaction between the d10 gold atoms due to large relativistic effect and can serve as an excellent model system to study the bond formation process in real time.
Kyung Hwan Kim +10 more
doaj +1 more source
Learning to Predict Chemical Reactions [PDF]
Journal of Chemical Information and Modeling, 2011 Being able to predict the course of arbitrary chemical reactions is essential to the theory and applications of organic chemistry. Approaches to the reaction prediction problems can be organized around three poles corresponding to: (1) physical laws; (2) rule-based expert systems; and (3) inductive machine learning.
Matthew A. Kayala +3 more
openaire +2 more sources
Nature Communications, 2023 Metal nanoparticle-organic interfaces are common but remain elusive for controlling reactions due to the complex interactions of randomly formed ligand-layers.
Anubhab Acharya +12 more
doaj +1 more source
Kinetic Highlights of the Reduction of Silver Tungstate by Mg + C Combined Reducer
Metals, 2022 The programmed reduction of tungstates and molybdates may yield the production of an intimate mixture of metals, pseudo-alloys or composite powders. As an extension of the study of obtaining powders of tungsten-copper, molybdenum-copper and tungsten ...
Marieta Zakaryan +3 more
doaj +1 more source
Decoding Attractive Interactions in Granular Materials through Vibration-Induced Densification
KONA Powder and Particle JournalWithin the intricate world of granular materials, the behavior of grain assemblies presents complexities characterized by nonlinear and inelastic phenomena, which seamlessly link the microscopic grain scale to the macroscopic bulk scale.
Maria-Graciela Cares-Pacheco +1 more
doaj +1 more source
Designing covalent organic frameworks with Co-O4 atomic sites for efficient CO2 photoreduction
Nature Communications, 2023 A class of inexpensive aminoanthraquinone organic dyes are shown to facilitate visible-light-driven CO2 reduction. Overall reaction efficiencies were found to be optimal when both electron donating and accepting groups were on a single dye molecule.
Qian Zhang +8 more
doaj +1 more source
Effective simulation techniques for biological systems [PDF]
, 2004 In this paper we give an overview of some very recent work on the stochastic simulation of systems involving chemical reactions. In many biological systems (such as genetic regulation and cellular dynamics) there is a mix between small numbers of key ...
Tian, T., Burrage, K.
core +1 more source
Therapeutic Apheresis and Dialysis, EarlyView.ABSTRACT Objective To compare the efficacy and safety of roxarestat versus recombinant human erythropoietin (rhEPO) in the management of renal anemia in patients undergoing maintenance hemodialysis. Methods This was a prospective, open‐label, randomized controlled trial.
Lingling Chen, Junjie Zhu, Qiaonan Ge
wiley +1 more source
Nature Communications, 2017 Photocatalytic reduction and oxidation reactions, involving multiple electrons and operating in tandem, are extremely challenging to achieve. Here, with a hybrid structure of ZnO and Cu2O, the authors report photocatalytic carbon dioxide reduction to ...
Kyung-Lyul Bae +4 more
doaj +1 more source
iScience, 2022 Summary: A concise copper-catalyzed oxidative dehydrogenative dearomatization of indole derivatives for the direct synthesis of spirocyclic indolenines containing fluorene and indeno[2,1-b]indole groups has been established.
Junli Chao +6 more
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