Concepedia

C–H⋯O (ether) hydrogen bonding along the (110) direction in polyglycolic acid studied by infrared spectroscopy, wide-angle X-ray diffraction, quantum chemical calculations and natural bond orbital calculations

Harumi Sato, Mai Miyada, Shigeki Yamamoto, Kummetha Raghunatha Reddy, Yukihiro Ozaki

RSC Advances · 2016 · 54 citations · 30 references

Abstract

Polyglycolic acid (PGA), a biodegradable polyester with a simple molecular structure, shows an abnormally high melting point of 220 °C which is the highest among biopolyesters.

References

30

Effect of the damping function in dispersion corrected density functional theory

Stefan Grimme, Stephan Ehrlich, Lars Goerigk · Journal of Computational Chemistry · 2011 · 27.1K citations

Natural Sciences, Chemistry, Physics +10

A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)

Takeshi Yanai, David P. Tew, Nicholas C. Handy · Chemical Physics Letters · 2004 · 14.8K citations

Natural Sciences, Chemistry, Physics +12

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

Marcus D. Hanwell, Donald Curtis, David Lonie et al. · Journal of Cheminformatics · 2012 · 10.4K citations · Full text

Natural Sciences, Bioinformatics, Chemistry +12

Natural hybrid orbitals

J. P. Foster, Frank Weinhold · Journal of the American Chemical Society · 1980 · 5K citations

Natural Sciences, Chemistry, Analytical Chemistry +10

An Evaluation of Harmonic Vibrational Frequency Scale Factors

Jeffrey Merrick, Damian Moran, Leo Radom · The Journal of Physical Chemistry A · 2007 · 2.7K citations

Natural Sciences, Chemistry, Physics +17