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评“波或密度的叠加:化学共振的本质是什么?”[J. 计算化学 2021, 42, 412-417]。

Comment on "Superposition of Waves or Densities: Which Is the Nature of Chemical Resonance?" [J. Comput. Chem. 2021, 42, 412-417].

机构信息

Department of Chemistry, Theoretical Chemistry Institute, University of Wisconsin-Madison, Madison, Wisconsin, USA.

Department of Chemistry and Physics, Indiana State University, Terre Haute, Indiana, USA.

出版信息

J Comput Chem. 2021 Jul 15;42(19):1338-1340. doi: 10.1002/jcc.26696. Epub 2021 May 26.

DOI:10.1002/jcc.26696
PMID:34041769
Abstract

We reply to specific criticisms and misrepresentations of natural resonance theory (NRT) in a recent article [Y. Wang, J. Comput. Chem. 2021, 42, 412-417] and argue that it presents a false dichotomy with respect to theoretical efforts to comprehend the nature of resonance-type phenomena.

摘要

我们针对最近一篇文章[Y. Wang, J. Comput. Chem. 2021, 42, 412-417]中对自然共振理论(NRT)的具体批评和错误描述进行了回复,并认为该理论在理解共振型现象本质的理论研究方面存在错误的二分法。

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