Ab initio large-amplitude quantum-tunneling dynamics in vinyl radical: a vibrationally adiabatic approach
Author:
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2008/CP/B800880A
Reference39 articles.
1. Evaluated Kinetic Data for Combustion Modelling
2. Ab initio studies of (1,2)-hydrogen migrations in open-shell hydrocarbons: vinyl radical, ethyl radical, and triplet methylcarbene
3. Determination of the proton tunneling splitting of the vinyl radical in the ground state by millimeter-wave spectroscopy combined with supersonic jet expansion and ultraviolet photolysis
4. Systematic GVB study of harmonic vibrational frequencies and dipole moment derivatives: The vinyl radical C2H3 and other simple molecules
5. Ultraviolet absorption spectrum and cross-sections of vinyl (C2H3) radical in the 225–238 nm region
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