Results 31 to 40 of about 1,915,706 (363)
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
Chemical Physics Letters, 1993 Abstract Forward scattering of the products of direct exoergic atom transfer reactions is proposed as an indication for a peripheral attraction: a reaction in which an atom at the periphery of the reactants is abstracted. Model computations for the O( 1 D) + N 2 O reaction are used to illustrate the proposed mechanism. The opacity function has a peak
Bennun, M +3 more
openaire +3 more sources
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
Nanoscale Research Letters, 2021 Elastomeric nanostructures are normally expected to fulfill an explicit mechanical role and therefore their mechanical properties are pivotal to affect material performance.
Shuting Zhang, Yihui Weng, Chunhua Ma
doaj +1 more source
Modelling Chemical Reasoning to Predict Reactions [PDF]
Chem. Eur. J. 2017, 23, 6118-6128, 2016 The ability to reason beyond established knowledge allows Organic Chemists to solve synthetic problems and to invent novel transformations. Here, we propose a model which mimics chemical reasoning and formalises reaction prediction as finding missing links in a knowledge graph. We have constructed a knowledge graph containing 14.4 million molecules and
arxiv +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
Damping and clustering into crowded environment of catalytic chemical oscillators
, 2018 A system formed by a crowded environment of catalytic obstacles and complex oscillatory chemical reactions is inquired. The obstacles are static spheres of equal radius, which are placed in a random way.
Alvarez-Llamoza, Orlando +4 more
core +1 more source
Chemical master equation and Langevin regimes for a gene transcription model [PDF]
, 2007 Gene transcription models must take account of intrinsic stochasticity. The Chemical Master Equation framework is based on modelling assumptions that are highly appropriate for this context, and the Stochastic Simulation Algorithm (also known as ...
Adalsteinsson +29 more
core +2 more sources
Siphons in Chemical Reaction Networks [PDF]
Bulletin of Mathematical Biology, 2010 Siphons in a chemical reaction system are subsets of the species that have the potential of being absent in a steady state. We present a characterization of minimal siphons in terms of primary decomposition of binomial ideals, we explore the underlying geometry, and we demonstrate the effective computation of siphons using computer algebra software ...
Shiu, Anne, Sturmfels, Bernd
openaire +6 more sources
Crystal structure of 2,6-diiodo-8-(3-iodophenyl)-phenyl-BODIPY, C19H16BF2I3N2
Zeitschrift für Kristallographie - New Crystal Structures, 2013 C19H16BF2I3N2, triclinic, P1̄ (no. 2), a = 10.163(1) Å, b = 10.682(1) Å, c = 11.592(1) Å, α = 63.658(1)°, β = 79.529(3)°, γ = 72.106(2)°, V = 1071.6 Å3, Z = 2, Rgt(F) = 0.0306, wRref(F2) = 0.0721, T = 296 K.
Li Xiaochuan +4 more
doaj +1 more source