An algorithm for construction of the molecular distance matrix

An algorithm for construction of the molecular distance matrix

A simple computer‐oriented method is presented for constructing the (molecular) distance matrix. The distance matrix considered is the graph‐theoretical (topological) distance matrix.

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Veröffentlicht in:Journal of computational chemistry 1987-03, Vol.8 (2), p.170-173
Hauptverfasser: Müller, W. R., Szymanski, K., Knop, J. V., Trinajstić, N.
Format: Artikel
Sprache:eng
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Atomic and molecular physics
Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations)
Electronic structure of atoms, molecules and their ions: theory
Exact sciences and technology
Physics
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container_end_page 173
container_issue 2
container_start_page 170
container_title Journal of computational chemistry
container_volume 8
creator Müller, W. R.
Szymanski, K.
Knop, J. V.
Trinajstić, N.
description A simple computer‐oriented method is presented for constructing the (molecular) distance matrix. The distance matrix considered is the graph‐theoretical (topological) distance matrix.
doi_str_mv 10.1002/jcc.540080209
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source Wiley Online Library Journals Frontfile Complete
subjects Atomic and molecular physics
Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations)
Electronic structure of atoms, molecules and their ions: theory
Exact sciences and technology
Physics
title An algorithm for construction of the molecular distance matrix
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