Ground and Low-Lying Excited Electronic States of Difluorodiazirine
Author:
Affiliation:
1. Chemistry Department, University of North Dakota, Grand Forks, North Dakota 58202-9024
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp0311658
Reference32 articles.
1. The isomers of diazomethane
2. Ab Initio investigation of the structures and stabilities of CH2N2, CHFN2, and CF2N2 isomers: Important consequences of MP2 optimizations
3. The high-resolution FT-infrared spectrum of difluorodiazirine, F2CN2: Rotational analysis of the ν3 fundamental
4. MNDO calculations on diazirines
5. Difluorodiazirine. I. Physical and spectral properties
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2. Accuracy of TD-DFT Geometries: A Fresh Look;Journal of Chemical Theory and Computation;2018-06-08
3. Theoretical study of non-Hammett vs. Hammett behaviour in the thermolysis and photolysis of arylchlorodiazirines;Physical Chemistry Chemical Physics;2018
4. Difluorodiazirine (CF2N2): A comparative quantum mechanical study of the first triplet and first singlet excited states;Chemical Physics Letters;2016-07
5. Difluorodiazirine (CF2N2): a quantum mechanical study of the electron density and of the electrostatic potential in the ground and excited electronic states;Theoretical Chemistry Accounts;2016-02-24
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