Applied Designs in Chemical Structures with High Symmetry

Edited by
July 2020
166 pages
  • ISBN978-3-03936-571-5 (Hardback)
  • ISBN978-3-03936-572-2 (PDF)

This book is a reprint of the Special Issue Applied Designs in Chemical Structures with High Symmetry that was published in

Biology & Life Sciences
Chemistry & Materials Science
Computer Science & Mathematics
Physical Sciences

This Special Issue, "Applied Designs in Chemical Structures with High Symmetry" is open to submissions and welcomes papers dealing with different orders of symmetry intrinsically present in chemical structures. Characterization of these structures helps broaden our understanding of the natural tendency to stabilize matter into chemical compounds, and pushes us to further develop new classes of highly symmetric chemical compounds. The best example is C60 fullerene (Buckminster fullerene), a purely synthetic form of carbon that was recently found to occur both in nature and outer space, and resembles the balls used in football. Applied designs may simply serve as tools for the in silico construction of chemical structures, as well as for the characterization of a structure, classification of a series of structures, and prediction of their properties (inside of an applicability domain with structure–property relationships).bio

  • Hardback
© 2020 by the authors; CC BY-NC-ND license
Buckminster; solubility; COSMO-RS (Conductor like Screening Model for Real Solvents); reference solvent; net organic solvent; fusion; cube rhombellane homeomorph; functionalized fullerene C60; Cisplatin (CisPt), nanostructure; molecular docking; affinity; oxindole derivatives; docking; rhombellanes; fullerenes; PEI; CHR; 3QVR; Glucose oxidase; docking; beta-cyclodextrin; QSPR; binding constant; TiV alloy; Symmetric structure; DFT calculation; mechanical property; elastic constant; electronic structure; applied pressure; CDK-2; oxidoles; docking; molecular dynamics; MMPBSA; inhibition; C60 fullerene derivatives; indirubin analogs; docking; rhombellanes; fullerenes; ChEMBL474807; C60; carbon nanotubes; eigenproblem; eigenvalues; molecular alignment; orthogonal alignment; cube rhombellane homeomorph; PEI; polyethylenimines; nanostructure; molecular docking; affinity; polymers; gene transfer; Riemann space; chemical space; manifold; branching point; double-shell structures; DFT; cube–rhombellanes; covalent assembly; van der Waals interaction; drug delivery; n/a