Retrieving "Molecular Mechanics" from the archives

Cross-reference notes under review

While the archivists retrieve your requested volume, browse these clippings from nearby entries.

1. Quantum Chemistry

   Linked via "molecular mechanics"

   The nature of this stationary point (minimum, transition state, or higher-order saddle point) is determined by analyzing the Hessian matrix, which contains the second derivatives of the energy with respect to nuclear coordinates. The number of negative eigenvalues in the Hessian matrix corresponds to the number of imaginary vibrational frequencies. For a true minimum, there must be zero imagina…