Graph-set analysis of hydrogen-bond patterns in organic crystals
Publication type: Journal Article
Publication date: 1990-04-01
SJR: —
CiteScore: —
Impact factor: —
ISSN: 01087681, 16005740
PubMed ID:
2344397
General Biochemistry, Genetics and Molecular Biology
General Medicine
Abstract
A method is presented based on graph theory for categorizing hydrogen-bond motifs in such a way that complex hydrogen-bond patterns can be disentangled, or decoded, systematically and consistently. This method is based on viewing hydrogen-bond patterns topologically as if they were intertwined nets with molecules as the nodes and hydrogen bonds as the lines. Surprisingly, very few parameters are needed to define the hydrogen-bond motifs comprising these networks. The methods for making these assignments, and examples of their chemical utility are given.
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Metrics
2.5k
Total citations:
2483
Citations from 2025:
120
(4.83%)
The most citing journal
Citations in journal:
360
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GOST
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Etter M. C. Graph-set analysis of hydrogen-bond patterns in organic crystals // Acta Crystallographica Section B Structural Science. 1990. Vol. 46. No. 2. pp. 256-262.
GOST all authors (up to 50)
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Etter M. C. Graph-set analysis of hydrogen-bond patterns in organic crystals // Acta Crystallographica Section B Structural Science. 1990. Vol. 46. No. 2. pp. 256-262.
Cite this
RIS
Copy
TY - JOUR
DO - 10.1107/S0108768189012929
UR - https://doi.org/10.1107/S0108768189012929
TI - Graph-set analysis of hydrogen-bond patterns in organic crystals
T2 - Acta Crystallographica Section B Structural Science
AU - Etter, M. C.
PY - 1990
DA - 1990/04/01
PB - International Union of Crystallography (IUCr)
SP - 256-262
IS - 2
VL - 46
PMID - 2344397
SN - 0108-7681
SN - 1600-5740
ER -
Cite this
BibTex (up to 50 authors)
Copy
@article{1990_Etter,
author = {M. C. Etter},
title = {Graph-set analysis of hydrogen-bond patterns in organic crystals},
journal = {Acta Crystallographica Section B Structural Science},
year = {1990},
volume = {46},
publisher = {International Union of Crystallography (IUCr)},
month = {apr},
url = {https://doi.org/10.1107/S0108768189012929},
number = {2},
pages = {256--262},
doi = {10.1107/S0108768189012929}
}
Cite this
MLA
Copy
Etter, M. C., et al. “Graph-set analysis of hydrogen-bond patterns in organic crystals.” Acta Crystallographica Section B Structural Science, vol. 46, no. 2, Apr. 1990, pp. 256-262. https://doi.org/10.1107/S0108768189012929.