Practical Aspects of Computational Chemistry V [E-Book] / edited by Jerzy Leszczynski, Manoj K. Shukla.
This book presents contributions on a wide range of computational research applied to fields ranging from molecular systems to bulk structures. This volume highlights current trends in modern computational chemistry and discusses the development of theoretical methodologies, state-of-the-art computa...
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Full text |
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Personal Name(s): | Leszczynski, Jerzy, editor |
Shukla, Manoj K., editor | |
Edition: |
1st edition 2022. |
Imprint: |
Cham :
Springer,
2022
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Physical Description: |
VIII, 290 pages 98 illustrations, 71 illustrations in color (online resource) |
Note: |
englisch |
ISBN: |
9783030832445 |
DOI: |
10.1007/978-3-030-83244-5 |
Subject (LOC): |
- 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.