Partial Hessian vibrational analysis

The vibrational free energy of the optimized part of the ah initio region is calculated by the Partial Hessian Vibrational Analysis (PHVA) method [58]. The solvation energy (AGs) is calculated with the EFP/PCM interface developed by Bandyopadyay et al. [59] for small molecules and extended to macromolecules by Li, Pomelli, and Jensen [60,61]. 

Li, H., Jensen, G. H. (2002). Partial Hessian vibrational analysis The localization of the molecular vibrational energy and entropy. Theoretica Chimica Acta, 107, 211. 

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