Generalized chirality and symmetry deficiency

DOI10.1023/A:1019121208423zbMath0934.92036MaRDI QIDQ1126929

Paul G. Mezey

Publication date: 10 April 2000

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

zbMATH Keywords

symmetryquantum chemistrycompact manifoldchiralityholographic electron density theoremmolecular electron densities

Mathematics Subject Classification ID

Molecular physics (81V55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Related Items (10)

Charge-conserving electron density averaging for a set of nuclear configurations ⋮ Simple one-electron invariants of molecular chirality ⋮ Large-scale chirality measures and general symmetry deficiency measures for functional group polyhedra of proteins ⋮ Might molecular symmetry operations exist ``partially? ⋮ Approximate symmetry characteristics using fuzzy-subset theory study for chiral transitions of allene-1,3,-dihalides ⋮ Shape-similarity relations based on topological resolution ⋮ Fuzzy symmetries of two classes of linear polyacene molecules ⋮ Evolution of chirality in consecutive asymmetric autocatalytic reaction cycles ⋮ Symmetries and fuzzy symmetries of graphene molecules ⋮ The determination of point groups from imprecise molecular geometries

Cites Work

• A new computational microscope for molecules: High resolution MEDLA images of taxol and HIV-1 protease, using additive electron density fragmentation principles and fuzzy set methods
• Macromolecular density matrices and electron densities with adjustable nuclear geometries
• Non-Abelian gauge structure in nuclear quadrupole resonance
• Self-Consistent Field Theory for Open Shells of Electronic Systems
• The molecular orbital theory of chemical valency VIII. A method of calculating ionization potentials
• New Developments in Molecular Orbital Theory

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