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On computation of the topological resonance energy

✍ Scribed by B. Mohar; N. Trinajstić

Publisher
John Wiley and Sons
Year
1982
Tongue
English
Weight
536 KB
Volume
3
Category
Article
ISSN
0192-8651

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✦ Synopsis

Abstract

The topological resonance energy (TRE) model was introduced independently by the Zagreb Group (in 1975) and by Aihara (in 1976). Several practical obstacles arise in the computation of TRE. Ways to surmount them are pointed out. Descriptions of algorithms, optimizations, and the efficient computer program are presented. Possible numerical instability is discussed.

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