Restricted Geometry Optimization -- JPCA Paper

A Letter to readers of Journal of Physical Chemistry A

Contents of the Letter.

Dear Readers of Journal of Physical Chemistry A:

Comment on our JPCA paper by Zvonimir B. Maksic (Division of Organic Chemistry and Biochemistry, Rudjer Boskovic Institute, 10000 Zagreb, Croatia) has been published in J Phys Chem A ( on December 24, 2008). In the comment paper as well as in its original version, however, there is no academic datum calculated by Prof. Maksic, and there is almost no reference cited. Particularly, as indicated in our response manuscript, the most of the comments are incorrect, and the some of those are rude. On the contrary, 78 important references, as well as the original words of the famous researchers, were cited in our response manuscript, which, together with our new calculation results presented in Supporting Information, has reasonably refuted all Maksic's criticisms.

Abnormally, our response manuscript was rejected without question on Oct 27, 2008, and meanwhile I was asked to submit a short paper. In the short paper, I can do noting except for admitting so-called mistake. Otherwise, as strongly implicated by the Editor, it will be no longer possible for me to publish any further paper in JPCA, which makes me remember Prof. Paul Schleyer's words. Before the submission of our JPCA paper, we discussed with the Prof. Paul Schleyer by emails for one month. At last, Prof. Paul Schleyer said: I urge you to abandon it in favor of alternative analyses. Afterwards our paper was publication in JPCA, which may be a reason why the comment paper can be publication without response. In fact, as shown by an inspection of the list of Maksic's papers, Prof. Maksic is not professional enough to be able to comment on the energy decomposition method. Particularly, one of the two reviewers for our response manuscript should be Prof. Paul Schleyer according to the comments

In the response to the Editor's decision, I refused to submit a short paper and stressed that the academy should be fair and any argument should be based on the academic data. Meanwhile I sent our response paper and supporting information to Prof. Maksic and hope to discuss with him. But I don't hear from him.

Several days later (Nov. 2, 2008), Prof. Alex Granovsky, a leading developer of PC-Gamess, requested the source codes of our calculation program (our program is a developed version of the PC-Gamess). I sent the full codes to Prof. Granovsky according to the contract between us two.

Now, my response paper, as well as the related files, is posted at this block to defend my academic credit. Thanks to the internet. It makes me to be able to appeal for and to strive for academic fair.

Thank you very much and Sincerely Yours

Zhong-Heng Yu, Ph.D.
Professor Physical Organic Chemistry
Institute of Chemistry
Chinese Academy of Sciences

P.S. Please download the following 4 PDF files, and then open and read them:
Our Response Manuscript
Supporting Information
Our JPCA Paper
Comment Paper
In addition, to see the original text, please go to: