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1. Quantum Chemistry

   Linked via "lone pairs"

   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…

2. Quantum Chemistry

   Linked via "lone pair"

   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…