Normal coordinate EigenValues (EVA)

Definition:

n_j - frequencies of normal vibrations in the molecule

x - sampling point on frequency scale

s- fixed standard deviation for all Gaussian functions characterizing the shape of the vibrational peak

References:

1. T.W. Heritage, A.M. Ferguson, D.B. Turner, P. Willett, in: 3D QSAR in Drug Design, Volume 2, H. Kubinyi, G. Folkers, Y.C. Martin (Eds.), Kluwer/Escom, Dordrecht, The Netherlands, 1998.