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
Recommended Citation
Brueckner, A. C., Ogba, O. M., Snyder, K.M, Richardson, H. C., and Cheong, P. H.-Y. (2017). Conformational searching for complex, flexible molecules. In Applied Theoretical Organic Chemistry, ed. Tantillo, D. J. (World Scientific, London, UK), pp. 147-164.
Copyright
World Scientific Publishing Europe Ltd.
Comments
In Dean J. Tantillo (Ed.), Applied Theoretical Organic Chemistry. Dr. Ogba's chapter begins on page 147.
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