Turkish Computational and Theoretical Chemistry

The Turkish Computational and Theoretical Chemistry journal deal with the original reports in the computational and theoretical chemistry from the structural problems to reaction mechanism in all chemistry fields as well as the interdisciplinary science including medicinal chemistry, pharmaceutical chemistry, biochemistry, biophysics, bioorganic chemistry. Especially, this journal encourages the papers concerned with the contemporary developments in theory and methodology, addition to the computational applications of an existing one: ab initio, semiempirical quantum mechanics, molecular mechanics, molecular dynamics, cheminformatics, molecular design, molecular structure prediction simulations, etc. However, this journal does not consider the reports only including the diffraction techniques and spectral characterization if they don’t include the meaningful discussion and elucidation by computational tools.

Turkish Computational and Theoretical Chemistry (TC&TC) encourages the papers concerned with the contemporary developments in theory and methodology, addition to the computational applications of an existing one: ab initio, semiempirical quantum mechanics, molecular mechanics, molecular dynamics, cheminformatics, molecular design, molecular structure prediction simulations, etc. However, this journal does not consider the reports only including the diffraction techniques and spectral characterization if they don’t include the meaningful discussion and elucidation by computational tools.

All contributions should be submitted to the Editorial Office by using the online manuscript submission system of this journal. Following materials must be submitted to editorial office during the submission of the manuscript:

1.     Cover Letter: it must clearly emphasize the importance and contributions of the obtained results on the scientific area.

2.     Graphical Abstract: it should be submitted to journal as a separate file. Also, it should be prepared at size 5 x 12 cm (max) with the screen shout resolution of 96 dpi.

3.     Highlights: they give the core points of the paper with 3- 5 items.

4.     Manuscript: there is no page limitation.

5.     Supplementary Material: it is not mandatory for this journal. But, if there is, it must be rigorously prepared by using the MS office.

6.     Copyright Transfer Agreement (License agreement): it should be signed by author(s) (corresponding and all co-author(s))

Manuscript Preparation:

1.     Manuscript must be prepared by using MS Office software,

2.     The margins should be 3 cm from each side and manuscript should be written with 1.5 space.

3.     All pages must be numbered from starting to ending.

4.     Author(s) must write in a size of 12 point as a standard font with Times New Romans.

5.     All measurements and data should be given in SI units.

6.     Standard American English should be used in manuscript.

7.     Citation in text should be given in squared bracket.

8.     Manuscript should include the sections as follow:

a.     Manuscript Title, Author(s) Name, Address

b.    Mobile Number, e-mail and Fax Number of Corresponding Author(s)

c.     Abstract (Not to exceed 400 words)

d.    Keywords

e.     Introduction

f.      Computational or Theoretical Approaches/Method (Equations must be written with the MathType program)

g.     Results and Discussions (including embedded Figures, Figure Captions, and Table)

h.    Conclusion

i.      Acknowledgment

j.      References

·  Reference to a book: (F. Jensen, Introduction to Computational Chemistry, second ed., John Wiley & Sons Ltd., England, 2007, pages).

·  Reference to a journal publication: (K. Sayin, D. Karakas, Quantum chemical studies on the some inorganic corrosion inhibitors, Corrosion Science 77 (2013) 37–45.)

·  Reference to a chapter in an edited book: (G.R. Mettam, L.B. Adams, in: B.S. Jones, R.Z. Smith (Eds.), Introduction to the Electronic Age, E-Publishing, Inc. New York, 2009, 281–304.)

·  Reference to a website: (http://cccbdb.nist.gov/vibscalejust.asp, October 2016, Accessed:27.02.2017)

9.     If necessary, supporting Information: submitted as separate files and not repeated in the manuscript.

10. If author desire, graphical abstract and highlights can be sent as separate files and not repeated in the manuscript. The image should be readable at a size of 5 × 13 cm using a regular screen resolution of 96 dpi and highlight include 3 to 5 bullet points (maximum 85 characters, including spaces, per bullet point).

Please ensure that every reference cited in the text is also present in the reference list (and vice versa). Unpublished results and personal communications are not recommended in the reference list, but may be mentioned in the text. If these references are included in the reference list, they should follow the standard reference style of the journal and should include a substitution of the publication date with either 'Unpublished results' or 'Personal communication'. Citation of a reference as 'in press' implies that the item has been accepted for publication.

Turkish Computational and Theoretical Chemistry presents papers that treat Computational Science (Chemistry, Physics, Biology, etc.).

Period
Turkish Computational and Theoretical Chemistry is a peer-reviewed academic journal which is published two times a year.

Academic objectivity and scientific quality are considered as the paramount importance.

Submissions found suitable are referred to two referees working in relevant fields. The names of the referees are kept confidential and referee reports are archived for five years. If one of the referee reports is positive and the other is negative, the article may be forwarded to a third referee for further assessment or alternatively, the Editor may make a final decision based on the nature of the refrees' reports. The authors are responsible for revising their articles in line with the criticism and suggestions made by the referees and the Editor. If they disagree with any issues, they may make an objection by providing clearly-stated reasons.

Language of Publication
The language of Turkish Computational and Theoretical Chemistry is English.

Plagiarism Policy
All articles are checked by means of a program (Ithenticate) in order to confirm they are not published before and avoid plagiarism.

Open Access Policy
This journal provides immediate open access to its content based on the principle to make the research freely available to the public that supports a greater global exchange of knowledge.


Archiving
Each issue is forwarded to libraries and international indexing institutions within one month after its publication.

Processing Charges
Turkish Computational and Theoretical Chemistry does not charge any article submission, processing charges, and printing charge from the authors.

Preparation and Submissions
Submission to this journal proceeds totally online, via submission page.

Submissions to Turkish Computational and Theoretical Chemistry should be original articles evaluating previous studies in the field and should produce new and worthwhile ideas and perspectives Divide your article into clearly defined and numbered sections. Subsections should be numbered 1.1 (then 1.1.1, 1.1.2, ...), 1.2, etc. (the abstract is not included in section numbering). Use this numbering also for internal cross-referencing: do not just refer to 'the text'. Any subsection may be given a brief heading. Each heading should appear on its own separate line. State the objectives of the work and provide an adequate background, avoiding a detailed literature survey or a summary of the results. Results should be clear and concise. An article to be published in Turkish Computational and Theoretical Chemistry should not have been previously published or accepted for publication elsewhere.

Publication Policy:

Publication process at Turkish Computational and Theoretical Chemistry (TC&TC) is the basis of the improvement and dissemination of information objectively and respectfully. Therefore, the procedures in this process improve the quality of manuscripts. Peer-reviewed studies are the ones that support and materialize the scientific method. At this point, all parties included in the publication process (authors, readers and researchers, publisher, reviewers and editors) comply with the standards of ethical considerations. Turkish Computational and Theoretical Chemistry expects all parties to hold the following ethical responsibilities.

The following ethical duties and responsibilities are written in the light of the guide and policies made by Committee on Publication Ethics (COPE).

The publication of an article in a peer-reviewed journal is an essential building block in the development of a coherent and respected network of knowledge. It is a direct reflection of the quality of the work of the authors and the institutions that support them. Peer-reviewed articles support and embody the scientific method. It is therefore important to agree upon standards of expected ethical behavior for all parties involved in the act of publishing: the author, the journal editor, the peer reviewer, and the publisher.

1. Publication and authorship:
· List of references, financial support;
· No plagiarism, no fraudulent data;
· Forbidden to publish same research in more than one journal.

2. Author’s responsibilities:
· Authors obliged to participate in peer review process;
· All authors have significantly contributed to the research;
· Statement that all data in article are real and authentic;
· All authors are obliged to provide retractions or corrections of mistakes.

3. Peer review / responsibility for the reviewers:
· Judgments should be objective;
· Reviewers should have no conflict of interest with respect to the research, the authors and/or the research funders;
· Reviewers should point out relevant published work which is not yet cited;
· Reviewed articles should be treated confidentially.

4. Editorial responsibilities:
· Editors have complete responsibility and authority to reject/accept an article;
· Editors should have no conflict of interest with respect to articles they reject/accept;
· Only accept a paper when reasonably certain;
· When errors are found, promote publication of correction or retraction;
· Preserve anonymity of reviewers.
· No plagiarism, no fraudulent data.

5. Publishing ethics issues
· Monitoring/safeguarding publishing ethics by editorial board;
· Guidelines for retracting articles;
· Maintain the integrity of the academic record;
· Preclude business needs from compromising intellectual and ethical standards;
· Always be willing to publish corrections, clarifications, retractions and apologies when needed.

Duties of the Publisher
Turkish Computational and Theoretical Chemistry (TC&TC) is committed to ensure that commercial revenue has no impact or influence on editorial decisions. In addition, TC&TC will assist in communications with other journals and/or publishers where this is useful to editors. Finally, we are working closely with other publishers and industry associations to set standards for best practices on ethical matters, errors and retractions–and are prepared to provide specialized legal review and counsel if necessary.

Plagiarism Detection
Turkish Computational and Theoretical Chemistry (TC&TC) uses single-blind review fulfilled by at least two reviewers. In addition, all articles are checked by means of a program (Ithenticate) in order to confirm they are not published before and avoid plagiarism.

The peer review process is at the heart of the success of scientific publishing. As part of our commitment to the protection and enhancement of the peer review process, TC&TC has an obligation to assist the scientific community in all aspects of publishing ethics, especially in cases of (suspected) duplicate submission or plagiarism.

When a reader discovers a significant error or inaccuracy in a paper published in Turkish Computational and Theoretical Chemistry (TC&TC) or have any other complaint about editorial content (plagiarism, duplicate papers, etc.), he/she should make a complaint by e-mail to: turkishcomptheochem@gmail.com. We welcome complaints as they provide an opportunity for improvement, and we aim to respond quickly and constructively.

Turkish Computational and Theoretical Chemistry is a completely open access journal and is free of charge.