Editors:
- Expands and revises a valuable and accessible reference work, now in second edition
- Features new sections including chemoinformatics, relativity, and solvents
- Presents peer reviewed, semi-empirical, molecular mechanics, and hybrid content by contributors of international distinction
- Provides quick and accessible information to all, from undergraduate students to professionals
- Supports both theoreticians and experimentalists with reliable and current material
- Includes supplementary material: sn.pub/extras
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Table of contents (58 entries)
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Front Matter
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Theory and Methodology
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Front Matter
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Applications of Computational Methods to Model Systems
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Front Matter
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About this book
Reviews
Editors and Affiliations
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Department of Chemistry and Biochemistry, Interdisciplinary Center for Nanotoxicity, Jackson State University, Jackson, USA
Jerzy Leszczynski
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Faculty of Chemistry, Nicolaus Copernicus University, Toruń, Poland
Anna Kaczmarek-Kedziera
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Laboratory of Environmental Chemometrics, Faculty of Chemistry, University of Gdańsk, Gdańsk, Poland
Tomasz Puzyn
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Institute of Biology, Medicinal Chemistry and Biotechnology, National Hellenic Research Foundation, Athens, Greece
Manthos G. Papadopoulos, Heribert Reis
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US Army Engineer Research and Development Center, Vicksburg, USA
Manoj K. Shukla
About the editors
–1986 he served as a faculty member at the TUW. In 1986 he moved to USA, initially as a visiting scientist at the University of Florida, Quantum Theory Project (1986-88) and as a research associate at the University of Alabama at Birmingham (1988-1990). During the period 1998 – 2008 Dr. Leszczynski had served as the director for the Computational Center for Molecular Structure and Interactions (NSF-CREST Center). Since October 2008 he directs new Interdisciplinary Nanotoxicity CREST Center at JSU. Dr. Leszczynski is a computational quantum chemist whose vast areas of interest include: nature of chemical bonds, theoretical predictions of molecularpotential energy surfaces and vibrational spectra, structures and properties of molecules with heavy elements, properties and structure of DNA fragments, and characteristics of nanomaterials. He also applies computational chemistry methods to environmental problems, surface chemistry and atmospheric chemistry. Two areas of his research contributions are the most noticeable: investigations of DNA fragments and development of novel techniques for investigation of properties and toxicity of nanomaterials.
Bibliographic Information
Book Title: Handbook of Computational Chemistry
Editors: Jerzy Leszczynski, Anna Kaczmarek-Kedziera, Tomasz Puzyn, Manthos G. Papadopoulos, Heribert Reis, Manoj K. Shukla
DOI: https://doi.org/10.1007/978-3-319-27282-5
Publisher: Springer Cham
eBook Packages: Chemistry and Materials Science, Reference Module Physical and Materials Science, Reference Module Chemistry, Materials and Physics
Copyright Information: Springer International Publishing Switzerland 2017
Hardcover ISBN: 978-3-319-27281-8Published: 10 February 2017
eBook ISBN: 978-3-319-27282-5Published: 23 January 2017
Edition Number: 2
Number of Pages: XXVI, 2381
Number of Illustrations: 273 b/w illustrations, 315 illustrations in colour
Topics: Theoretical and Computational Chemistry, Computational Biology/Bioinformatics, Nanotechnology, Mathematical Applications in the Physical Sciences, Computer Appl. in Life Sciences