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- W2017371008 abstract "The concept of molecular kurtosis as a dynamic molecular shape descriptor is introduced and used to compare the relative flexibilities of benzene and cyclohexane. For small torsional deformations (<15°) the potential energy surfaces are similar, indicating both molecules are flexible. Using molecular kurtosis, the stiffness of benzene and cyclohexane are compared from gas-phase stochastic dynamics simulations and validated by distributions found in the Cambridge Structural Database. © 1993 John Wiley & Sons, Inc." @default.
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- W2017371008 title "Benzene is not very rigid" @default.
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- W2017371008 doi "https://doi.org/10.1002/jcc.540140116" @default.
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