graph set analysis
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Graph-Set Analysis Helps To Understand Charge Transfer in a Novel Ionic Cocrystal When the ΔpKa Rule Fails

2019 ◽  
Vol 19 (9) ◽  
pp. 5308-5313 ◽  
Author(s):  
Oisín N. Kavanagh ◽  
Gavin Walker ◽  
Matteo Lusi
Keyword(s):  
Charge Transfer ◽  
Graph Set ◽  
Graph Set Analysis

scholarly journals The amino alcohol MeN(CH2CMe2OH)2

IUCrData ◽  
2017 ◽  
Vol 2 (6) ◽  
Author(s):  
Michael Lutter ◽  
Vinusuya Gock ◽  
Klaus Jurkschat
Keyword(s):  
Crystal Structure ◽  
Amino Alcohol ◽  
Graph Set ◽  
Graph Set Analysis

The crystal structure, including a graph-set analysis, of 1-[(2-hydroxy-2-methylpropyl)methylamino]-2-methylpropan-2-ol, C9H21NO2, is reported. The structure is characterized by unsymmetrical intra- and intermolecular O—H...O hydrogen bridges, giving rise to the formation of an infinite polymer consisting of eight-membered rings arranged in zigzag chains running along theaaxis.

The Graph Landscape: using visual analytics for graph set analysis

2016 ◽  
Vol 20 (3) ◽  
pp. 417-432 ◽  
Author(s):  
Andrew Kennedy ◽  
Karsten Klein ◽  
An Nguyen ◽  
Florence Ying Wang
Keyword(s):  
Visual Analytics ◽  
Graph Set ◽  
Graph Set Analysis

scholarly journals Cover Picture: Characterization of Supramolecular Hidden Chirality of Hydrogen-Bonded Networks by Advanced Graph Set Analysis (Chem. Eur. J. 9/2014)

2014 ◽  
Vol 20 (9) ◽  
pp. 2389-2389
Author(s):  
Toshiyuki Sasaki ◽  
Yoko Ida ◽  
Ichiro Hisaki ◽  
Tetsuharu Yuge ◽  
Yoshiaki Uchida ◽  
...  
Keyword(s):  
Graph Set ◽  
Graph Set Analysis ◽  
Hydrogen Bonded

Characterization of Supramolecular Hidden Chirality of Hydrogen-Bonded Networks by Advanced Graph Set Analysis

2014 ◽  
Vol 20 (9) ◽  
pp. 2478-2487 ◽  
Author(s):  
Toshiyuki Sasaki ◽  
Yoko Ida ◽  
Ichiro Hisaki ◽  
Tetsuharu Yuge ◽  
Yoshiaki Uchida ◽  
...  
Keyword(s):  
Graph Set ◽  
Graph Set Analysis ◽  
Hydrogen Bonded
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