Accurate Study of the Two Lowest Singlet States of HN3: Stationary Structures and Energetics at the MRCI Complete Basis Set Limit
Author:
Affiliation:
1. Departamento de Quı́mica, Universidade de Coimbra, 3004-535 Coimbra, Portugal
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp402090s
Reference50 articles.
1. Atmospheric Chemistry of Hydrazoic Acid (HN3): UV Absorption Spectrum, HO• Reaction Rate, and Reactions of the •N3 Radical
2. Kinetic studies of the thermal decomposition of hydrazoic acid in shock waves
3. Energetics and spin‐ and Λ‐doublet selectivity in the infrared multiphoton dissociation DN3→DN(X 3Σ−,a 1Δ)+N2(X 1Σ+g): Experiment
4. Unimolecular dynamics following vibrational overtone excitation of HN3 v1=5 and v1=6: HN3(X̃;v,J,K)→HN(X 3Σ−;v,J,Ω)+N2 (X 1Σ+g)
5. Dissociation lifetimes and level mixing in overtone‐excited HN3(X̃ 1A’)
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