eBook - PDF
Theoretical and Computational Chemistry
Applications in Industry, Pharma, and Materials Science
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- 270 pages
- English
- PDF
- Available on iOS & Android
eBook - PDF
Theoretical and Computational Chemistry
Applications in Industry, Pharma, and Materials Science
Book details
Table of contents
Citations
About This Book
This book explores the applications of computational chemistry ranging from the pharmaceutical industry and molecular structure determination to spectroscopy and astrophysics. The authors detail how calculations can be used to solve a wide range of practical challenges encountered in research and industry.
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Yes, you can access Theoretical and Computational Chemistry by Iwona Gulaczyk, Bartosz Tylkowski in PDF and/or ePUB format, as well as other popular books in Technology & Engineering & Chemical & Biochemical Engineering. We have over one million books available in our catalogue for you to explore.
Information
Table of contents
- Preface
- Contents
- List of contributing authors
- 1 Computational methods for calculation of protein-ligand binding affinities in structure-based drug design
- 2 Understanding (coupled) large amplitude motions: the interplay of microwave spectroscopy, spectral modeling, and quantum chemistry
- 3 Floppy moleculesâtheir internal dynamics, spectroscopy and applications
- 4 Computational studies on statins photoactivity
- 5 Artificial intelligence in the modeling of chemical reactions kinetics
- 6 Modelling of enzyme kinetics: cellulose enzymatic hydrolysis case
- 7 Computational approach to the study of morphological properties of polymer/fullerene blends in photovoltaics
- 8 Modeling and assessment of the transfer effectiveness in integrated bioreactor with membrane separation
- Index