4 issues per year (March, June, September, December)

Publication Charges

Indian Authors : Rs.1500

Foreign Authors : USD 50

Published by

The World Academy of Research in Science and Engineering


Welcome to IJTCMC

(A Journal for Smooth, Simple and Timely publishing of Review and Research Articles)

  An Open Access Journal, were articles shall be viewed by all


Aims and Scope

International Journal of Theoretical, Computational and Mathematical Chemistry (IJTCMC) is an international interdisciplinary online  journal, aimed at providing comprehensive coverage on the latest developments of research in the ever-expanding area of theoretical, computational, and mathematical chemistry and their applications to broad scientific fields spanning physics, chemistry, biology, materials, and so on.  It is published 4 issues (March, June, September, December) per year to promote the scientific research in the latest and state of art topics in Theoretical, Computational and Mathematical Chemistry. With the proliferation of sub-fields in the application of theoretical, computational, and mathematical chemistry and the explosion of applications in various scientific fields.

We hope this online journal will serve as a major single source of information on the latest research that can be broadly defined to be in the general area of theoretical, computational, and mathematical chemistry. The journal publishes original contributions on broad aspects: from the development of fundamental theoretical methodology, computational algorithm, and mathematical techniques to extensive numerical applications to specific scientific problems ranging from gas-phase to condensed phase, and to biological systems. Furthermore, the International Journal of Theoretical, Computational and Mathematical Chemistry (IJTCMC) publishes papers reporting new theories, methodology, and/or important applications in quantum electronic structure, molecular dynamics,  quantum chemistry, chemical dynamics , statistical thermodynamics, and chemical biology. Specific topics include advances in or applications of ab initio quantum mechanics, density functional theory, design and properties of new materials, surface science, Monte Carlo simulations, solvation models, QM/MM calculations, biomolecular structure prediction, and molecular dynamics in the broadest sense including gas phase dynamics, ab initio dynamics, DFT dynamics, biomolecular dynamics, and protein folding.

International Journal of Theoretical, Computational and Mathematical Chemistry (IJTCMC) publishes high quality, original reports of significance in Theoretical, Computational and Mathematical Chemistry including those that deal with problems of structure, properties, energetics, weak interactions, reaction mechanisms, catalysis, and reaction rates involving atoms, molecules, clusters, surfaces, and bulk matter. Reports on new algorithms and comprehensive assessments of existing ones, and applications to new types of problems are especially welcome. Manuscripts that apply standard methods to specific chemical problems and/or to specific molecules are appropriate if they report novel results for an important problem of high interest and/or if they are used to develop significant new insights. International Journal of Theoretical, Computational and Mathematical Chemistry (IJTCMC) publishes quality original research papers and survey articles in Theoretical, Computational and Mathematical Chemistry and related areas that are of the highest possible quality.  It is intended that the journal may act as an interdisciplinary forum for publishing chemically important mathematical papers. Papers published in this journal must have a clear connection to chemistry. We also accept extended version of papers which are previously published in conferences and/or journals.

All the submitted articles should report original, unpublished research arcitles, experimental or theoretical and it will undergo the double blind review process. Articles submitted to the journal shjould meet these criteria and must not be under consideration for publication elsewhere. Manuscripts submitted should follow the style of the journal and are subject to both review and editing.

All the papers selected for publication are also available freely as full-text in on-line. 

Special Features:

  • Quick response for the submitted papers
  • Maximum of four authors is permitted for each research paper
  • Highly Qualified Editorial Board
  • Quality paper selection
  • Open access of all the articles
  • Every issue of the journal is available online from Vol.1 No.1 to the current published issue
  • Very normal publication charge
  • Good Impact Value from all over the world


Important Dates
Call for papers : Vol. 3 No. 1 January - March 2017  Issue
Last date for Manuscript Submission : March  20, 2017
Notification of Acceptance : March  25, 2017
Publication : March  2017