Conformational Searching for Complex, Flexible Molecules

Title

Conformational Searching for Complex, Flexible Molecules

Files

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Description

"Conformational analysis is essential to the study of organic reactions using theory. In this chapter, we examine the practical considerations behind software-guided conformational searches using molecular mechanics, analyze the strengths and weaknesses of specific parameters, and show examples involving both ground- and transition-state conformational searches. Finally, we provide a general summary of suggestions."

ISBN

978-1786344083

Publication Date

4-2018

Publisher

World Scientific

City

London, UK

Disciplines

Numerical Analysis and Scientific Computing | Organic Chemistry | Other Chemistry | Other Computer Sciences

Comments

In Dean J. Tantillo (Ed.), Applied Theoretical Organic Chemistry. Dr. Ogba's chapter begins on page 147.

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Copyright

World Scientific Publishing Europe Ltd.

Conformational Searching for Complex, Flexible Molecules

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