Scientific article
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Guidelines for the presentation of quantum mechanical computational data in organic chemistry: technical report

ContributorsInternational Union of Pure and Applied Chemistry. Working Party on Quantum Chemical and Computational Data
Published inPure and Applied Chemistry, vol. 64, no. 8, p. 1203-1209
Publication date1992
Abstract

Guidelines are offered concerning information that should be reported in the primary chemical literature relating to the techniques and results of quantum mechanical calculations. The goal of these Guidelines is to outline the infomation required to allow an informed reader to reproduce the results and make an objective evaluation of the quality of the work.

Citation (ISO format)
International Union of Pure and Applied Chemistry. Working Party on Quantum Chemical and Computational Data. Guidelines for the presentation of quantum mechanical computational data in organic chemistry: technical report. In: Pure and Applied Chemistry, 1992, vol. 64, n° 8, p. 1203–1209. doi: 10.1351/pac199264081203
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Journal ISSN0033-4545
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