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1. ELECTRONIC STRUCTURE AND CHEMICAL BONDING IN EsO₂

   Abstract

   The density of states of valence electrons of the EsO ₂ dioxide is calculated by the relativistic discrete variational method. The scheme of...

   Y. A. Teterin, M. V. Ryzhkov, ... V. G. Petrov in Journal of Structural Chemistry

   Article 29 September 2023
   

2. Advancements in hand-drawn chemical structure recognition through an enhanced DECIMER architecture

   Abstract

   Accurate recognition of hand-drawn chemical structures is crucial for digitising hand-written chemical information in traditional laboratory...

   Kohulan Rajan, Henning Otto Brinkhaus, ... Christoph Steinbeck in Journal of Cheminformatics

   Article Open access 05 July 2024
   

3. Study on the Relationship between Chemical Structure and Thermoplasticity of Moderately Metamorphic Coking Coal

   Abstract

   The quality of coke is to some extent closely related to the technological properties of coking coals due to the differences in chemical...

   Yefei Lv, Zhang Sun, ... Ning Shang in Coke and Chemistry

   Article 01 October 2023
   

4. Insight into the Structure of Asphaltene after Its Disaggregation by Chemical Processing

   Abstract

   In order to understand the structure of asphaltene after its disaggregating by chemical processing, a comprehensive study for exploring the...

   Shengchao Wei, Dan Lu, ... Daohong **a in Petroleum Chemistry

   Article 01 March 2024
   

5. Development of novel bioactive waterborne polyurethanes: Effect of polyurethane chemical structure on its properties

   In this work, a family of bioactive waterborne polyurethanes (WPUs), based on glycerol ethoxylate (GE), hexamethylene diisocyanate (HDI) or...

   María I. León‑Campos, Jesús A. Claudio‑Rizo, ... Francisco J. Enríquez-Medrano in Journal of Polymer Research

   Article 08 July 2024
   

6. RanDepict: Random chemical structure depiction generator

   The development of deep learning-based optical chemical structure recognition (OCSR) systems has led to a need for datasets of chemical structure...

   Henning Otto Brinkhaus, Kohulan Rajan, ... Christoph Steinbeck in Journal of Cheminformatics

   Article Open access 06 June 2022
   

7. HETEROCYCLIC HEAVY ANALOGUES OF CARBENES: STRUCTURE AND CHEMICAL PROPERTIES. REVIEW

   Abstract

   The paper reviews data reported on the synthesis, molecular and electronic structure of heterocyclic derivatives of low valent silicon,...

   K. V. Arsenyeva, A. V. Piskunov in Journal of Structural Chemistry

   Article 01 January 2023
   

8. Effect of HF and NaOH Etching on Chemical and Structure Stability of Hollow SiOC Ceramics

   The hollow SiOC ceramic microspheres were synthesized by using solvothermal method in NaHCO ₃ solution and followed by chemical etching with HF and...

   Kedong **a, Hui Zhang, ... **ao Liu in Silicon

   Article 26 December 2023

9. Hybrid Structure–Based SPR Sensor for Chemical Sensing with Enhanced Sensitivity

   In this paper, we have proposed a new multilayer structure and investigated its performance as a chemical sensor utilizing surface plasmon resonance....

   Mohan Kumar Paswan, Rikmantra Basu in Plasmonics

   Article 06 September 2023
   

10. Investigation of chemical structure recognition by encoder–decoder models in learning progress

    Descriptor generation methods using latent representations of encoder–decoder (ED) models with SMILES as input are useful because of the continuity...

    Shumpei Nemoto, Tadahaya Mizuno, Hiroyuki Kusuhara in Journal of Cheminformatics

    Article Open access 12 April 2023
    

11. Structure and Chemical Features of Products of Polyethylene and Petroleum Tar Hydroconversion

    Abstract

    The relationships in formation of the hydrocarbon composition of the hydrogenizate fraction in polyethylene and petroleum tar hydroconversion...

    A. M. Gyulmaliev, A. E. Batov, ... Kh. M. Kadiev in Petroleum Chemistry

    Article 01 November 2022
    

12. Chemical Kinetics

    The stoichiometric equation for a chemical reaction documents the mass and mole balancesMole balance of the reactants and products. It primarily...

    Anthony J. Duben in Case Studies in the Virtual Physical Chemistry Laboratory

    Chapter 2024
    

13. SwinOCSR: end-to-end optical chemical structure recognition using a Swin Transformer

    Optical chemical structure recognition from scientific publications is essential for rediscovering a chemical structure. It is an extremely...

    Zhanpeng Xu, Jianhua Li, ... Honglin Li in Journal of Cheminformatics

    Article Open access 01 July 2022
    

14. Chemical Information and Molecular Similarity

    Molecular structures are determinants of molecular properties including physicochemical properties, biological activities, and toxicities. The atom...

    Kunal Roy, Arkaprava Banerjee in q-RASAR

    Chapter 2024
    

15. Chemical Signalling in Beetles

    This chapter reviews chemical structures of biologically active, volatile compounds in beetles. Techniques used for structure elucidation are briefly...

    Wittko Francke, Konrad Dettner in The Chemistry of Pheromones and Other Semiochemicals II

    Chapter
    

16. Modern Thermo-chemical Treatment

    The importance of improving the functional properties of steel was understood in ancient Greece and intensively developed in the Middle Ages. The...

    Emilia Wołowiec-Korecka in Carburising and Nitriding of Iron Alloys

    Chapter 2024
    

17. Ab Initio Study of the Structure and Chemical Bonding of a Group of Hypothetical Compounds Mg₂NA (A = F, Cl, Br, I) with Antichalcopyrite Structure

    Abstract

    A group of hypothetical compounds Mg ₂ N A ( A = F, Cl, Br, I) with the antichalcopyrite structure is considered. Optimized geometries,...

    V. S. Timofeev, A. B. Gordienko in Journal of Structural Chemistry

    Article 01 June 2024
    

18. Effects of KBrO₃ on Chemical, Aggregation and Morphological Structure of Polyacrylonitrile (PAN) Precursor Fibers

    The effects of KBrO ₃ modification on polyacrylonitrile (PAN) precursor fibers at different modification temperatures were studied. The mechanical...

    Yatian Chen, Bin He, ... Yong Liu in Fibers and Polymers

    Article 18 July 2023
    

19. Characterization, components, and chemical structure of a novel natural pigments derived from Streptomyces tauricus

    Microbial pigments have extensive applications in the food, cosmetic, and biopharmaceutical industries. In this study, a pigment-rich actinomycete...

    Minghui Zhou, Min Han, ... Min Yu in European Food Research and Technology

    Article 17 May 2024
    

20. Lanthanum Propionate Monohydrate and Its Mixed-Ligand Complex with Diethylenetriamine: Synthesis, Crystal Structure, and Use in Chemical Solution Deposition of Lanthanum Nickelate Thin Films

    Abstract

    A mixed-ligand complexation approach implying the reaction of metal carboxylates with the chelating tridendate diethylenetriamine (DETA)...

    M. P. Kendin, R. A. Gashigullin, ... D. M. Tsymbarenko in Russian Journal of Inorganic Chemistry

    Article 01 September 2023