Hybrid approach for free energy calculations with high-level methods: Application to the SN 2 reaction of CH Cl3 and O H- in water

Marat Valiev, Bruce C. Garrett, Ming Kang Tsai, Karol Kowalski, Shawn M. Kathmann, Gregory K. Schenter, Michel Dupuis

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65 Citations (Scopus)

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Chemical Compounds

Physics & Astronomy