Theoretical Study of Structure, Energetic, Hydrogen Bonds Strength and Intramolecular Proton Transfer of 2-(2-R (ROH, NH2, SH) Phenyl (or Pyridyl)) Benzoxazoles (or Benzothiazoles)
Author:
Publisher
Wiley
Subject
General Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/cjoc.201190136/fullpdf
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1. Comparison of experimental and DFT-calculated NMR chemical shifts of 2-amino and 2-hydroxyl substituted phenyl benzimidazoles, benzoxazoles and benzothiazoles in four solvents using the IEF-PCM solvation model;Magnetic Resonance in Chemistry;2015-10-19
2. Dynamics simulations of photoinduced proton transfer reactions of 2-(2′-hydroxyphenyl)benzoxazole in the gas phase and its hydrated clusters;Chemical Physics Letters;2014-08
3. Investigation of Excited-State Proton Transfer of 2-(3-Acetamido-2-pyridyl)benzimidazole in the Confined Nanocavity of Cucurbit[7]uril;Chinese Journal of Organic Chemistry;2013
4. Synthesis and Theoretical Study of Intramolecular Hydrogen Bond at Two Possible Positions in Pyrazolo[1,2-b]phthalazine;Chinese Journal of Chemistry;2012-04
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