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Journal of Theoretical and Computational Chemistry - World Scientific | 2024 Impact Factor:1.7 | Cite Score:1.7

Journal of Theoretical and Computational Chemistry

Impact Factor and Journal Rank of Journal of Theoretical and Computational Chemistry

  • About: The Journal of Theoretical and Computational Chemistry serves as a premier platform for researchers, practitioners, and academics interested in the fields of theoretical and computational chemistry. The journal publishes high-quality research articles, review papers, and application studies that contribute to the understanding and advancement of theoretical models and computational methods in chemistry.
  • Objective:
    The primary objective of the Journal of Theoretical and Computational Chemistry is to advance the field by providing a forum for the dissemination of original research findings. The journal covers a wide range of topics, including quantum chemistry, molecular dynamics, computational spectroscopy, and the development of computational methods and algorithms. By integrating theoretical insights with computational applications, the journal aims to foster the development of new theories, models, and methodologies in theoretical and computational chemistry.
  • Interdisciplinary Approach:
    The Journal of Theoretical and Computational Chemistry promotes an interdisciplinary approach by encouraging contributions that bridge various areas of chemistry, physics, biology, and related fields. The journal welcomes research that explores the intersection of theoretical chemistry with computational techniques, experimental validation, and applications in materials science and drug discovery. By fostering collaborations across disciplines, the journal facilitates the dissemination of innovative research that addresses complex challenges in chemical modeling and simulations.
  • Impact:
    The impact of the Journal of Theoretical and Computational Chemistry is significant in advancing both the theoretical foundations and practical applications of chemistry. By publishing rigorous research articles, review papers, and application studies, the journal contributes to the development of new theoretical models, computational techniques, and simulation approaches. Its publications inform the design and analysis of chemical processes, influence advancements in material and drug design, and support the theoretical underpinnings of emerging technologies. The journals emphasis on high-quality research and practical relevance ensures its contributions support the continuous evolution of theoretical and computational chemistry.
  • Significance:
    The Journal of Theoretical and Computational Chemistry holds significant importance for researchers, educators, and practitioners interested in advancing the fields of theoretical and computational chemistry. The journals contributions include theoretical advancements, practical applications, and critical analyses of chemistry-related problems and techniques. By providing a platform for scholarly exchange and knowledge dissemination, the journal supports the development of innovative solutions that address real-world challenges in chemical modeling, simulations, and analysis. It fosters the continuous advancement of chemistry methodologies and technologies, facilitating the development of robust and efficient computational tools that meet the demands of modern scientific, technological, and industrial applications.

  • Editor-in-Chief:  Emil Alexov

  • Scope: The Journal of Theoretical and Computational Chemistry focuses on the development and application of theoretical methods and computational techniques to solve problems in chemistry. Here is an overview of its scope and topics covered:
  • Theoretical Chemistry:
    Research on the development of new theoretical methods and models to understand chemical systems. This includes quantum chemistry, molecular dynamics, statistical mechanics, and chemical kinetics.
  • Computational Chemistry:
    Studies on the application of computational techniques to solve chemical problems. This includes ab initio methods, density functional theory (DFT), molecular mechanics, and hybrid methods.
  • Molecular Modeling:
    Research on the simulation and modeling of molecular structures and interactions. This includes studies on the prediction of molecular geometry, conformational analysis, and the modeling of reaction mechanisms.
  • Drug Design and Discovery:
    Studies on the use of computational methods in drug design and discovery. This includes virtual screening, molecular docking, pharmacophore modeling, and quantitative structure-activity relationship (QSAR) analysis.
  • Materials Science:
    Research on the theoretical and computational study of materials. This includes studies on the electronic, optical, and mechanical properties of materials, as well as the design of new materials with desired properties.
  • Biomolecular Simulations:
    Studies on the simulation of biological molecules and systems. This includes research on protein folding, enzyme catalysis, ligand-receptor interactions, and the dynamics of biomolecular assemblies.
  • Surface Science and Catalysis:
    Research on the theoretical and computational study of surfaces and interfaces. This includes studies on adsorption, surface reactions, heterogeneous catalysis, and the design of catalytic materials.
  • Nanotechnology:
    Studies on the theoretical and computational aspects of nanotechnology. This includes research on the properties and behavior of nanomaterials, nanoscale interactions, and the design of nanodevices.
  • Environmental Chemistry:
    Research on the application of computational methods to environmental chemistry. This includes studies on atmospheric chemistry, pollutant degradation, and the modeling of environmental processes.
  • Spectroscopy and Photochemistry:
    Studies on the theoretical and computational investigation of spectroscopic properties and photochemical processes. This includes research on electronic spectra, vibrational spectra, and the dynamics of photoinduced reactions.
  • Method Development:
    Research on the development of new computational methods and algorithms. This includes improvements in computational efficiency, accuracy, and the development of software tools for chemical simulations.
  • Interdisciplinary Studies:
    Research that integrates theoretical and computational chemistry with other disciplines. This includes studies at the interface of chemistry with physics, biology, materials science, and engineering.
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  • Print ISSN:  02196336

    Electronic ISSN:  

  • Abstracting and Indexing:  Scopus, Science Citation Index Expanded

  • Imapct Factor 2024:  2.44

  • Subject Area and Category:   Chemistry, Physical and Theoretical Chemistry, Computer Science, Computational Theory and Mathematics, Computer Science Applications

  • Publication Frequency:  

  • H Index:  0

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  • Cite Score:  1.7

  • SNIP:  0

  • Journal Rank(SJR):  0.221