Chemistry and Quantum Mechanics in 2019: Give Us Insight and Numbers

This Perspective revisits Charles Coulson's famous statement from 1959 "give us insight not numbers" in which he pointed out that accurate computations and chemical understanding often do not go hand in hand. We argue that today, accurate wave function based first-principle calculatio...

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Bibliographic Details

Published in:	Journal of the American Chemical Society Vol. 141; no. 7; p. 2814
Main Authors:	Neese, Frank, Atanasov, Mihail, Bistoni, Giovanni, Maganas, Dimitrios, Ye, Shengfa
Format:	Journal Article
Language:	English
Published:	United States 20.02.2019
ISSN:	1520-5126, 1520-5126
Online Access:	Get more information
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