ISSN:
0020-7608
Keywords:
Chemistry
;
Theoretical, Physical and Computational Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
A family of related techniques for the reduction of square-cell configurations (“animals”) to simpler ones by cell-shedding processes provide physically motivated, novel approaches for shape characterization and similarity criteria as well as similarity measures based on equivalence relations. The two main algorithms, csk, k = 1, 2, involve the simultaneous “shedding” of all cells having precisely k sides exposed on the periphery of the animal; the shedding steps are repeated as long as the resulting structure is an animal. Since the termination criteria of these two algorithms are different, they can be combined sequentially into composite algorithms, leading to various alternative shape characterizations and equivalence relations. The third main algorithm, cs32, involves incomplete elimination of peripheral cells of a given type, thus retaining some additional local shape features inherited from the original animal. Following the introduction of these transformations, some of their properties are derived and several examples are discussed. © 1997 John Wiley & Sons, Inc. Int J Quant Chem 62: 353-361, 1997
Additional Material:
4 Ill.
Type of Medium:
Electronic Resource
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