老师您好:我一篇投稿文章引用了老师您2021年Chemistry—Methods 中论文 10.1002/cmtd.202100007中的Fig 1并直接引用了您文章中这句话:The sign(λ2)denotes the sign of the second largest eigenvalue of Hessian of ρ, whichhas a certain ability to distinguish attractive and repulsive interactions来说明我所研究体系中的分子内弱相互作用, 审稿人给出了如下质疑:
That is erroneous statement, which is often repeated in the literature.Meawhile, the sign(λ2) does not allow to distinguish the attractive and repulsive interactions. If sign(λ2) > 0 , then corresponding bond path (and corresponding bcp) is simply absent. In this point, the acceptedmodel is going beyond the Bader QTAIM theory, therefore the additional arguments are needed for convincing analysis.
我没有搞清楚审稿人这么说的根据在哪里,我正在看Bader 的QTAIM,感觉短期内很难解决这个问题,还望老师能给解惑!谢谢老师!! 作者Author: sobereva 时间: 2023-8-10 21:06
审稿人连基本的原理都根本不懂
首先,IRI、IGMH等方法比AIM拓扑分析的关键优势之一就是能把靠AIM拓扑分析无法展现的相互作用展现出来,脱离了BCP、RCP这些概念的束缚、根本就不需要BCP/RCP的存在,这在IRI原文里已经论证得极其清楚了,让审稿人好好看IRI原文,以及下文里我的综述
一篇最全面介绍各种弱相互作用可视化分析方法的文章已发表! http://sobereva.com/667(http://bbs.keinsci.com/thread-37629-1-1.html)