Phase transition in 2-nitroanilinium bisulphate. Graph-set analysis, spectroscopic and theoretical studies
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2020.127772
Abstract: Abstract The 2-nitroanilinium bisulphate, (H2NA)HSO4, crystallizes in triclinic symmetry, space group P–1. Isosymmetric phase transition is discontinuous and it proceeds at 232 K. Bisulphate anions are connected to each other by two hydrogen bonds forming the… read more here.
Keywords: phase transition; graph set; transition; nitroanilinium bisulphate ... See more keywords
Graph classification based on graph set reconstruction and graph kernel feature reduction
Sign Up to like & getrecommendations! Published in 2018 at "Neurocomputing"
DOI: 10.1016/j.neucom.2018.03.029
Abstract: Abstract Graph, a kind of structured data, is widely used to model complex relationships among objects, and has been used in various of scientific and engineering fields, such as bioinformatics, network intrusion detection, social network,… read more here.
Keywords: classification; graph set; graph classification; graph kernel ... See more keywords
Using crystallography, topology and graph set analysis for the description of the hydrogen bond network of triamterene: a rational approach to solid form selection
Sign Up to like & getrecommendations! Published in 2017 at "Chemistry Central Journal"
DOI: 10.1186/s13065-017-0293-1
Abstract: This study has demonstrated the use of crystallography, topology and graph set analysis in the description and classification of the complex hydrogen bonded network of triamterene. The aim is to give a brief overview of… read more here.
Keywords: topology graph; crystallography topology; graph set; topology ... See more keywords