Comparison of Direct Dynamics Simulations with Different Electronic Structure Methods. F- + CH3I with MP2 and DFT/B97-1

Comparison of Direct Dynamics Simulations with Different Electronic Structure Methods. F^- + CH₃I with MP2 and DFT/B97-1

R Sun, C J Davada, J Zhang, William Hase

Research output: Contribution to journal › Article › peer-review

Original language	English
Pages (from-to)	2589-2597
Journal	Physical Chemistry Chemical Physics
State	Published - 2015

@article{1d20eeb0441f474dbfc83d09baa1dc13,

title = "Comparison of Direct Dynamics Simulations with Different Electronic Structure Methods. F- + CH3I with MP2 and DFT/B97-1",

author = "R Sun and Davada, {C J} and J Zhang and William Hase",

year = "2015",

language = "English",

pages = "2589--2597",

journal = "Physical Chemistry Chemical Physics",

publisher = "RSC",

}