Symbolic calculation in chemistry: Selected examples

2004242 citationsJournal Article

Authors

Michael P. Barnett · Princeton University

Joachim von zur Gathen · Paderborn University

Abstract

Abstract A selective classified bibliography of symbolic computation in some areas of chemistry is provided together with some examples of computer algebra algorithms and techniques to facilitate future joint work of chemists and computer scientists. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004

Topics & Keywords

Computational Drug Discovery Methods Molecular spectroscopy and chirality Topological and Geometric Data Analysis

Publication Details

Published in: International Journal of Quantum Chemistry

Volume 100, Issue 2, pp. 80-104

DOI: 10.1002/qua.20097

Field-Weighted Citation Impact: 15.17

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Symbolic calculation in chemistry: Selected examples

Authors

Abstract

Topics & Keywords

Publication Details