Theoretical study of the internal rotational barriers in nitrotoluenes, nitrophenols, and nitroanilines
Author:
Publisher
Elsevier BV
Subject
General Chemical Engineering,Applied Microbiology and Biotechnology,Biotechnology
Reference37 articles.
1. Density-functional exchange-energy approximation with correct asymptotic behavior
2. Density‐functional thermochemistry. III. The role of exact exchange
3. Intramolecular Hydrogen Bonding and Molecular Geometry of 2-Nitrophenol from a Joint Gas-Phase Electron Diffraction and ab Initio Molecular Orbital Investigation
4. Barrier to internal rotation of the nitro group in ortho-nitrophenols from gas-phase electron diffraction
5. Kinetics and mechanisms of thermal decomposition of nitroaromatic explosives
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