Use of an improved ion-solvent potential-energy function to calculate the reaction rate and α-deuterium and microsolvation kinetic isotope effects for the gas-phase SN2 reaction of Cl-(H2O) with CH3Cl

Xin Gui Zhao, Da Hong Lu, Yi Ping Liu, Gillian C. Lynch, Donald G. Truhlar

Research output: Contribution to journalArticlepeer-review

46 Scopus citations

Fingerprint

Dive into the research topics of 'Use of an improved ion-solvent potential-energy function to calculate the reaction rate and α-deuterium and microsolvation kinetic isotope effects for the gas-phase SN2 reaction of Cl-(H2O) with CH3Cl'. Together they form a unique fingerprint.

Keyphrases

Chemistry

Chemical Engineering