Applications Alkanes and cycloalkanes

Anybody can make a force field for alkanes Jack D. Dunitz 

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. 

The development of this potential energy function has been 

PEF400 has performed rather well for the purpose for which it was 172 217 

A crown ether, l8-crown-6, was studled with our earliest 

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