Response to comment on “Superposition of waves or densities: Which is the nature of chemical resonance?”
发布时间：2021-05-31
点击次数：
影响因子：2.976
DOI码：10.1002/jcc.26523
所属单位：扬州大学
教研室：物理化学
发表刊物：Journal of Computational Chemistry
关键字：chemical bonding, natural resonance theory, resonance theory, valence bond theory, wave function analysis
摘要：I reply to the comment by Weinhold and Glendening on the article (J. Comput. Chem. 2021, 42, 412). I provide further explanation and an additional numerical example to support my previous assertion that the present form of natural resonance theory is fundamentally flawed, at least within the DFT framework.
第一作者：汪洋
论文类型：SCI
学科门类：理学
文献类型：SCI
卷号：42
期号：19
页面范围：1341-1343
是否译文：否
发表时间：2021-05-28
收录刊物：SCI