On the relationship between free energy difference calculations by thermodynamic integration and harmonic frequency analysis

Author： Jechow Jason   Ziegler Tom  

Publisher： NRC Research Press

ISSN： 1480-3291

Source： Canadian Journal of Chemistry, Vol.87, Iss.3, 2009-03, pp. : 496-501

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

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