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wolfzhong

木虫 (正式写手)

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虫号: 619989
注册: 2008-10-08
专业: 理论和计算化学

[交流] 一篇JPC文章审稿人的意见

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Reviewer: 2

Recommendation: This paper is not recommended because the material is not
appropriate for the Journal of Physical Chemistry.

Comments:
In this work the authors present a very thorough survey of the energies
and structures of possible di- and tri-nuclear Cr-carbonyl complexes using
standard DFT methods. The technical execution is in good order and the
presentation is also solidly done. I am puzzled, however, why this
material is being sent to J. of Phys. Chem. - I can't really see a lot of
physical chemists enjoying this material. It seems to me that this work
should be more interesting to the organometallic community.Organometallics or the J. of Organometallic Chem. would be a much better
forum for this work.

I also urge the authors to consider rewriting the paper to make it a
little more exciting. In the current form, each structure and its energy
is being presented in a very linear fashion. I do see the value of having
such an analysis of the different bonding and structure patterns for some
researchers, but I doubt that this work will be able to excite anyone in
its current form. This looks like a very mundane and standard application
of DFT that anyone with a laptop can do within a week.

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We have now received two reviews of your manuscript, which you will find
below.  As you will see, one reviewer indicates that only minor revisions
are needed, while the other recommends against publication.  Both
reviewers suggest revisions be made to your manuscript.  The primary
criticism of reviewer 2 is a lack of physical insights gleaned from the
studies.

The criteria for publication of computational papers are that they must
satisfy at least one of the following criteria:

-       provide significant new physical insight into an experimentally
relevant system or process

-       present a new theoretical or computational methodology of
general interest

Based on this, I cannot accept the manuscript in its present form, but if
you believe it can be revised to address reviewer 2â?™s concerns, I would
consider the revised form of the manuscript.

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