A theoretical study of the CX2N radicals (X = F, Cl, Br): The effect of halogen substitution on structure, isomerization, and energetics
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.3678006
Reference60 articles.
1. Benchmark calculations for molecules in the gas phase: State-of-the-art coupled-cluster computations
2. Assessment of a computational strategy approaching spectroscopic accuracy for structure, magnetic properties and vibrational frequencies of organic free radicals: the F2CN and F2BO case
3. Toward spectroscopic accuracy for open-shell systems: Molecular structure and hyperfine coupling constants of H2CN, H2CP, NH2, and PH2 as test cases
4. The ultraviolet absorption spectrum of the F 2 CN radical
5. Matrix‐Isolation Study of the Infrared Spectrum of the Free Radical F2CN
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