First-principles simulations of transition state spectra of the I + HI and I + DI reactions and vibrational bonding in IMuI

标题
First-principles simulations of transition state spectra of the I + HI and I + DI reactions and vibrational bonding in IMuI
作者
关键词
Reaction dynamics, Transition state spectroscopy, Reactive resonance, Vibrational bonding, Van der Waals bonding, Ab initio, potential energy surface
出版物
CHEMICAL PHYSICS
Volume 457, Issue -, Pages 51-56
出版商
Elsevier BV
发表日期
2015-05-29
DOI
10.1016/j.chemphys.2015.05.019

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