Publication - Journal Article Hybrid Quantum Mechanical and Molecular Mechanics Study of the S_N2 Reaction of CCl₄ + OH^– in Aqueous Solution: The Potential of Mean Force, Reaction Energetics, and Rate Constants

Journal Article

The Journal of Physical Chemistry A, vol. 116, iss. 9, pp. 2371-2376, 2012

Authors

Tingting Wang, Hongyun Yin, Dunyou Wang, Marat Valiev

Language English

Publication - Journal Article Hybrid Quantum Mechanical and Molecular Mechanics Study of the SN2 Reaction of CCl4 + OH– in Aqueous Solution: The Potential of Mean Force, Reaction Energetics, and Rate Constants