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Modeling and Simulating Chemical Reactions [PDF]

SIAM Review, 2008
The author presents basic concepts in modelling, using the example of coupled chemical reactions. Four points are examplified: the necessity of modeling assumptions, the need of a multiscale analysis in order to cope with very different characteristic times of the system, a good understanding of deterministic versus probabilistic source of the models ...
Higham, Desmond J.
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Overcoming Homogeneity, Stability and Activity Issues in Two Noble-Metal-Free Polyoxometalates through Leaching-Proof, Size-Matched Encapsulation in Metal-Organic Framework, (MIL-100-Fe) for Enhanced Photocatalytic Hydrogen Evolution

Engineered Science
Polyoxometalates (POMs) such as K10[(PW9O34)2Ni4(H2O)2].32 H2O (Ni4P2) represent a rare class of noble-metal-free catalysts for the hydrogen evolution reaction (HER), but their homogeneous nature limits practical application due to issues with ...
Waqas Ali Shah, Xusheng Dai, Yalei Zhang, Yuanyuan Zhao, Xiaowei Zhai, Nana Ma, Shujun Li   +6 more
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Crystal structure of 2-(4-diethylamino-2-hydroxyphenyl)-benzoxazole, C17H18N2O2

Zeitschrift für Kristallographie - New Crystal Structures, 2013
C17H18N2O2, monoclinic, P21/n (no. 14), a = 7.192(1) Å, b = 14.948(2) Å, c = 14.001(2) Å, β = 94.520(2)°, V = 1500.5 Å3, Z = 4, Rgt(F) = 0.0533, wRref(F2) = 0.1685, T = 296 K.
Li Xiaochuan, Li Yajuan, Zhang Junna, Son Young-A   +3 more
doaj   +1 more source

On new Chemical Reactions of Polymers [PDF]

Pure and Applied Chemistry, 1968
Abstract
openaire   +1 more source

Chemical reactions

California Agriculture, 1961
California Agriculture - All ...
California Agriculture
doaj  

ADP-ribosyl-N3: A Versatile Precursor for Divergent Syntheses of ADP-ribosylated Compounds

Molecules, 2017
Adenosine diphosphate-ribose (ADP-ribose) and its derivatives play important roles in a series of complex physiological procedures. The design and synthesis of artificial ADP-ribosylated compounds is an efficient way to develop valuable chemical biology ...
Lingjun Li, Qianqian Li, Shengqiang Ding, Pengyang Xin, Yuqin Zhang, Shenlong Huang, Guisheng Zhang   +6 more
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Graphene‐Based Phthalocyanine‐Assembled Synergistic Fe‐Co‐Ni Trimetallic Single‐Atomic Bifunctional Electrocatalysts by Rational Design for Boosting Oxygen Reduction/Evolution Reactions

Carbon Energy
Development of high‐efficiency bifunctional oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) electrocatalysts is vital for the widespread application of zinc–air batteries (ZABs).
Yujun Wu, Shaobing Tang, Wenbo Shi, Zhaoyu Ning, Xingke Du, Cunling Ye, Zhengyu Bai, Wei Shuang, Qing Zhang, Lin Yang   +9 more
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Photothermal-assisted NH3 release in a bipyridinium-functionalized metal-organic framework adsorbent

Nature Communications
Widespread deployment of NH3-adsorbing MOF materials remains challenging due to the significant energy-penalty of regeneration. In this work, we address this limitation by integrating photothermal technologies into a bipyridinium-functionalized MOF ...
Xiao-Dong Yang, Haijing Lv, Yuxi Sun, Wenjing Dong, Yaping Wen, Xiaopeng Xuan, Jie Zhang   +6 more
doaj   +1 more source

Topical Review: Molecular reaction and solvation visualized by time-resolved X-ray solution scattering: Structure, dynamics, and their solvent dependence

Structural Dynamics, 2014
Time-resolved X-ray solution scattering is sensitive to global molecular structure and can track the dynamics of chemical reactions. In this article, we review our recent studies on triiodide ion (I3–) and molecular iodine (I2)
Kyung Hwan Kim, Jeongho Kim, Jae Hyuk Lee, Hyotcherl Ihee   +3 more
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Synergistic modulation of valence state and oxygen vacancy induced by surface reconstruction of the CeO2/CuO catalyst toward enhanced electrochemical CO2 reduction

Carbon Energy
Electrochemical CO2 reduction reaction (CO2RR) offers a promising strategy for CO2 conversion into value‐added C2+ products and facilitates the storage of renewable resources under comparatively mild conditions, but still remains a challenge.
Fangfang Chang, Zhenmao Zhang, Yan Zhang, Yongpeng Liu, Lin Yang, Xiaolei Wang, Zhengyu Bai, Qing Zhang   +7 more
doaj   +1 more source