Fundamentals of Computational Chemistry
NY RESEARCH PRESS · Print & ebook · May 17, 2018
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- Who it’s for
- An introduction to computational chemistry’s use of programs to calculate molecular structures and properties.
- Genres
- Molecular Modeling, Physical Chemistry
- Published
- NY RESEARCH PRESS, May 17, 2018
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Start with this bookAbout this book
Computational chemistry is a sub-field of chemistry which aims at solving problems of chemical nature by using computer programs. It calculates molecular structure and properties by integrating methods of theoretical chemistry and computer programs. Some of the methods used in this field are ab initio methods, chemical and molecular dynamics, density functional methods, etc.
Continue reading
This book elucidates the concepts and innovative models around prospective developments with respect to computational chemistry. It is a compilation of chapters that discuss the most vital concepts in this field. For all those who are interested in this subject, this textbook can prove to be an essential guide.
Molecular Structure Calculations
An introduction to computational chemistry’s use of programs to calculate molecular structures and properties.
Come here for
- How theoretical chemistry meets computer programs
- Calculations of molecular structure and properties
Expect
- Ab initio methods
- Density functional methods
Where it sits
| Molecular Modeling | 100% |
|---|---|
| Physical Chemistry | 86% |
Percentages are BookFrontier’s reading of the book.
Publisher categories
- Molecular Modeling
- Authors
- Daniel Sullivan
- Publisher
- NY RESEARCH PRESS
- Published
- May 17, 2018
- Format
- Print & ebook
- Reading lane
- Molecular Modeling