Nonadiabatic quantum dynamics calculations of transition state spectroscopy of I + HI and I + DI reactions: the existence of long life vibrational bonding resonances
Author:
Affiliation:
1. Department of Chemistry, Saitama University, 255 Shimo-Okubo, Sakura-ku, Saitama City
2. Saitama 338-8570
3. Japan
Abstract
Nonadiabatic quantum dynamics calculations were performed to understand the transition state spectroscopy of I + HI and I + DI reactions.
Funder
Ministry of Education, Culture, Sports, Science and Technology
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP05478E
Reference47 articles.
1. Current Status of Transition-State Theory
2. Control of chemical reactivity by transition-state and beyond
3. Intrinsic reaction coordinate: Calculation, bifurcation, and automated search
4. Transition State Spectroscopy of Bimolecular Chemical Reactions
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