Practical aspects of computational c...
Leszczynski, Jerzy, (1949-)

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  • Practical aspects of computational chemistry V /
  • 紀錄類型: 書目-語言資料,印刷品 : Monograph/item
    正題名/作者: Practical aspects of computational chemistry V // Jerzy Leszczynski, Manoj K. Shukla, editors.
    其他題名: Practical aspects of computational chemistry 5
    其他作者: Leszczynski, Jerzy,
    出版者: Cham, Switzerland :Springer, : 2022.,
    面頁冊數: viii, 290 p. :ill. (some col.) ;25 cm.
    內容註: Introductory Roadmap to Current Reactive Force-field Methodologies -- Physics-Based Coarse-Grained Modeling in Bio- and Nanochemistry -- First-Principles Modeling of Non-Covalent Interactions in Molecular Systems and Extended Materials -- DNA Damage Radiosensitizers Geared Towards Hydrated Electrons -- Application of Computational Chemistry for Contaminant Adsorption on the Components of Soil Surfaces -- Application of Computational Approaches to Analysis of Multistep Chemical Reactions of Energetic Materials: Hydrolysis of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) -- Dataset Modelability by QSAR: Continuous Response Variable -- A Cluster Model for Interpretation of Surface-Enhanced Raman Scattering of Organic Compounds Interacting with Silver Nanoparticles.
    標題: Chemistry, Physical and theoretical - Data processing. -
    ISBN: 9783030832438
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