Abstract
This chapter will review some of our results obtained on the simpler compounds. I shall describe potential energy functions with parameter sets fitted both by trial and error and by optimisation, and I shall observe chronological order. The older parts include also work on ethers and alcohols.
Anybody can make a force field for alkanes
Jack D. Dunitz
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© 1985 Springer-Verlag Berlin Heidelberg
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Rasmussen, K. (1985). Applications: Alkanes and cycloalkanes. In: Potential Energy Functions in Conformational Analysis. Lecture Notes in Chemistry, vol 37. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-45591-9_10
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DOI: https://doi.org/10.1007/978-3-642-45591-9_10
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-13906-5
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