Quick Navigation

Overview Topics Abstract Importance Paper Tools References Reactions Discussion Publication Related

Topics

Quantum Optimization

Hydrogen-bonding network in anhydrous chitosan from neutron crystallography and periodic density functional theory calculations.

PubMed
Authors: Ogawa Y, Naito PK, Nishiyama Y

Year

2019

Paper ID

1735

Status

Peer-reviewed

Abstract Read

~2 min

Abstract Words

99

Citations

33

Abstract

The hydrogen-bonding network in anhydrous chitosan crystal was studied using a combination of neutron crystallography and quantum chemical calculation. The locations of the hydroxyl hydrogen were directly resolved using Fourier omit maps applied to neutron diffraction data, whereas the amino hydrogen atoms were determined based on geometrical optimization using periodic density functional theory (DFT) calculation. Energy optimization of the hydrogen positions based on DFT calculation allowed the measurement of the hydrogen-bond energies. In the chitosan crystal, the hydroxyl groups mostly play a role as hydrogen-bond donors while the amino moiety behaves as a strong acceptor but a poor donor.

Why This Paper Matters

  • This paper contributes to the Quantum Optimization research area in the Quantum Articles archive.
  • It adds a 2019 reference point for readers tracking recent quantum research.
  • The hydrogen-bonding network in anhydrous chitosan crystal was studied using a combination of neutron crystallography and quantum chemical calculation.

Paper Tools

Become a member to use research tools

Sign in to open papers, visit source links, share, cite, compare, copy DOI links, request category corrections, and build your reading list.

Become a member Sign in
Publisher Share Cite This Paper Copy URL Compare Copy DOI Add to Reading List Category Correction Request

References & Citation Signals

[1] DOI https://doi.org/10.1016/j.carbpol.2018.11.042 [2] Publisher https://pubmed.ncbi.nlm.nih.gov/30600001/

Local Citation Graph (Related-Paper Links)

Current Paper #1735 #69042 Simultaneous Fragment Docking f... #69036 CARVE-Q: Quantum-Proposed, Clas... #69000 Performance analysis of classic... #68991 Benchmarking Quantum Algorithmi...

External citation index: OpenAlex citation signal • updated 2026-06-19 09:32:03

Community Reactions

Quick sentiment from readers on this paper.

Score: 0
Likes: 0 Dislikes: 0

Sign in to react to this paper.

Discussion & Reviews (Moderated)

Average Rating: 0.0 / 5 (0 ratings)

No written reviews yet.