第五章: 限制轨道作用的几何优化 -

一个新的探究芳香性本质的理论方法

Chapter 5: The Restricted geometry Optimization -

New Procedure to Get New Insight into Aromaticity

第五章第四部分：正式批驳Maksić’的评论

Chapter 5 (4): Formally Refuting the Maksić’s Comment (1)-Coverletter to the Editor of JPC 

     2011年初，经过严格的评审，我们的论文: “New Procedure to Evaluate Aromaticity at the Density Functional Theory, Hartree–Fock, and Post-Self-Consistent Field Levels”, 正式在. J. Comput. Chem.发表， 当即, 我们向JPC递投了正式批驳Maksić’s 对我们2007-JPCA论文的评论： “Formally Refuting the Comment on “Restricted Geometry Optimization: A Different Way to Estimate Stabilization Energies for Aromatic Molecules of Various Types”.

    今天先上传给编辑部的Cover letter. 在这封信中，我们主要说明Maksić’对我们评论的事件是一件学术界的丑闻，我们2011-JCC的论文确证，我们的程序是合理的，计算结果是可靠的. 最后，要求Maksić’向我们道歉，并在JPCA撤销他的评论文章.

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Dear Prof. and Editor Schatz:

      I would submit a reply paper:  “Formally Refuting the Comment on “Restricted Geometry Optimization: A Different Way to Estimate Stabilization Energies for Aromatic Molecules of Various Types””,  to The Journal of Physical chemistry A.

      On December 24, 2008, one year after publication of our 2007 JPCA paper “Restricted Geometry Optimization: A Different Way to Estimate Stabilization Energies for Aromatic Molecules of Various Types,  Prof. Maksić published his comment paper, and he concluded that our 2007 JPCA paper is meaningless. In the original version of his comment manuscript, however, there was nothing, almost no reference cited and no his calculated data, except for sarcastic and rude remarks, indicating that Maksić is not professional enough to be able to comment on the method for partitioning energy.

      In our response manuscript ( “our 2008 response”), on the contrary, 78 important references, as well as the original words of the famous researchers, were cited, which, together with our new calculation results presented in Supporting Information, reasonably refuted all Maksić’s criticisms. Abnormally, our response manuscript was rejected without question on Oct 27, 2008.

      Afterwards, I wrote several Emails to Editor Duncan, and I said: “It is strange that such so unprofessional comment can be published in JPCA and meanwhile our reasonable response was rejected, which is academic scandal.”, and “We sincerely hope that JPCA can publish the comment and our response because we deeply trust that JPCA Editor is fair and permits argument. JPCA should trust that the professional readers can judge whether the comments is correct or not”, and I continued to say: “We deeply trust it will be Prof. Zvonimir B. Maksić, rather than us, to lose the credit after the publication of such unprofessional comment”.

       In our 2008 response manuscript, I once said that I would publish a new paper if necessary. Now, such new paper has been published on J. Comput. Chem, and it confirmed that our program is reasonable and calculates a reliable extra-stabilizing energy of benzene via the comparison between our program and the block-localized wave function (BLW) method. So it is the time for me to formally refute the Maksić’s comments. Prof. Maksić’s should make an apology for his rude remarks first, and then withdraw his comment paper from JPCA.

      I sincerely hope that this reply paper can be published on J. Phys. Chem. A.

      Thank you very much

      Sincerely Yours.

                                                                                                 Zhong-Heng Yu

                                                                                                  Prof. and Ph.D. of

                                                                                                  Physical Organic Chemistry

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（to be continued）