THEORETICAL CHEMISTRY ACCOUNTS

Scope & Guideline

Exploring Innovative Pathways in Computational Chemistry

Introduction

Delve into the academic richness of THEORETICAL CHEMISTRY ACCOUNTS with our guidelines, detailing its aims and scope. Our resource identifies emerging and trending topics paving the way for new academic progress. We also provide insights into declining or waning topics, helping you stay informed about changing research landscapes. Evaluate highly cited topics and recent publications within these guidelines to align your work with influential scholarly trends.
LanguageEnglish
ISSN1432-881x
PublisherSPRINGER
Support Open AccessNo
CountryUnited States
TypeJournal
Convergefrom 1996 to 2024
AbbreviationTHEOR CHEM ACC / Theor. Chem. Acc.
Frequency1 issue/year
Time To First Decision-
Time To Acceptance-
Acceptance Rate-
Home Page-
AddressONE NEW YORK PLAZA, SUITE 4600 , NEW YORK, NY 10004, UNITED STATES

Aims and Scopes

The journal 'Theoretical Chemistry Accounts' aims to disseminate high-quality research in the field of theoretical and computational chemistry. It encompasses a wide array of topics, focusing on the development and application of theoretical methodologies to solve pressing problems in chemistry and materials science.
  1. Computational Chemistry Methods:
    The journal emphasizes the development and application of computational methods such as Density Functional Theory (DFT), ab initio calculations, and molecular dynamics simulations to investigate chemical systems.
  2. Material Science and Nanotechnology:
    Research on the electronic, optical, and structural properties of nanomaterials and their applications in various fields, including energy storage, catalysis, and environmental science.
  3. Chemical Reactions and Mechanisms:
    Studies focusing on the theoretical elucidation of reaction mechanisms, including kinetic studies, energetic profiles, and selectivity of chemical reactions.
  4. Machine Learning and Quantum Chemistry:
    Integration of machine learning techniques with quantum chemistry to enhance predictive capabilities and optimize computational methods.
  5. Intermolecular Interactions and Complexes:
    Investigations into non-covalent interactions, hydrogen bonding, and complex formation, emphasizing their roles in biological, chemical, and material systems.
  6. Spectroscopy and Dynamics:
    Theoretical studies that link computational results to spectroscopic properties, including vibrational, electronic, and photophysical characteristics.
The journal has seen a rise in interest in several emerging themes, reflecting current trends in theoretical chemistry and its interdisciplinary applications. These trends highlight the growing importance of integrating modern computational techniques with traditional theoretical frameworks.
  1. Machine Learning Applications in Chemistry:
    Recent publications emphasize the application of machine learning techniques to predict chemical properties, optimize molecular structures, and enhance computational efficiency, indicating a significant trend towards data-driven methodologies.
  2. Nanomaterials and Energy Applications:
    There is an increasing focus on the study of nanomaterials, particularly in relation to energy applications such as batteries, catalysis, and environmental remediation, showcasing the journal's commitment to addressing contemporary technological challenges.
  3. Quantum Computing and High-Performance Computing:
    The exploration of quantum computing methods and their implications for theoretical chemistry is gaining traction, reflecting the field's move towards leveraging advanced computational capabilities.
  4. Theoretical Studies on Drug Design and Biochemistry:
    Emerging themes include the application of theoretical methods in drug discovery and biochemical systems, highlighting the journal's engagement with health-related research areas.
  5. Interdisciplinary Approaches:
    There is a notable trend towards interdisciplinary research that combines theoretical chemistry with physics, materials science, and biology, reflecting a broader perspective in tackling complex scientific problems.

Declining or Waning

While 'Theoretical Chemistry Accounts' continues to thrive in various research domains, certain themes have shown a decline in frequency and relevance in recent publications. This may suggest a shift in focus or a saturation of research interest in these areas.
  1. Traditional Organic Reaction Mechanisms:
    There has been a noticeable decline in studies solely focused on traditional organic reaction mechanisms without the incorporation of modern computational techniques or interdisciplinary approaches.
  2. Basic Thermodynamic Studies:
    Research that purely addresses fundamental thermodynamic properties without a direct application or advanced theoretical framework appears to be waning, as the journal shifts towards more applied and complex theoretical studies.
  3. Classical Molecular Dynamics without Quantum Corrections:
    The use of classical molecular dynamics simulations in isolation, without integrating quantum mechanical insights or hybrid methodologies, is becoming less common.
  4. Static Theoretical Models:
    The reliance on static theoretical models that do not account for dynamic effects or real-time simulations is declining, as the field increasingly values dynamic and time-dependent analyses.

Similar Journals

JOURNAL OF PHYSICAL CHEMISTRY A

Advancing the frontiers of molecular understanding.
Publisher: AMER CHEMICAL SOCISSN: 1089-5639Frequency: 51 issues/year

Journal of Physical Chemistry A, published by the American Chemical Society, serves as a leading platform for disseminating high-quality research in the fields of physical and theoretical chemistry. With an ISSN of 1089-5639 and E-ISSN of 1520-5215, this journal maintains a rigorous standard, demonstrated by its position in the Q2 category for both physical and theoretical chemistry as well as miscellaneous medicine within its 2023 category quartiles. As part of the greater ACS network, it operates with a solid Scopus rank of 76/189, placing it within the 60th percentile, emphasizing its credibility and impact in the chemistry community. The journal's objective is to enhance the understanding of molecular phenomena through innovative experimental and computational approaches, making it essential reading for researchers, professionals, and students seeking to advance their knowledge and contribute to scientific discussion. With additional open access options, the Journal of Physical Chemistry A continues to foster collaboration and the sharing of ideas in the vibrant scientific landscape of the United States and beyond.

JOURNAL OF CHEMICAL PHYSICS

Charting New Territories in Physics and Astronomy
Publisher: AIP PublishingISSN: 0021-9606Frequency: 48 issues/year

JOURNAL OF CHEMICAL PHYSICS, published by AIP Publishing, stands as a premier scholarly source within the realms of physical and theoretical chemistry, as well as physics and astronomy. With an enduring history dating back to 1933 and converging until 2024, this journal has established itself as a cornerstone of the scientific community, evidenced by its prestigious Q1 categorization in multiple fields, including medicine and general physics. It is ranked 37th out of 243 in the general physics and astronomy category and holds a commendable 39th position in physical and theoretical chemistry according to Scopus rankings, highlighting its significant impact in these disciplines. Although not an open-access journal, it caters to a wide audience of researchers, professionals, and students seeking to deepen their understanding of the interactions and dynamics of chemical systems. With its expertly curated content, the JOURNAL OF CHEMICAL PHYSICS continues to play a vital role in advancing knowledge and fostering innovation across its core subjects.

JOURNAL OF MOLECULAR MODELING

Unlocking the Secrets of Molecular Structures
Publisher: SPRINGERISSN: 1610-2940Frequency: 1 issue/year

JOURNAL OF MOLECULAR MODELING, published by Springer, is a pivotal resource for researchers and professionals in the fields of chemistry, computer science, and molecular sciences. The journal's ISSN is 1610-2940, with an E-ISSN of 0948-5023, reflecting its commitment to disseminating cutting-edge research from 1996 to 2024. Although the journal does not operate under an Open Access model, it remains an invaluable platform for the publication of innovative studies related to computational methods, theoretical chemistry, and molecular simulations. With a notable categorization across multiple quartiles—including Q4 in Catalysis and Q3 in Computational Theory and Mathematics—the journal holds a distinct rank in Scopus, highlighting its influence and contribution to the discipline. The importance of this journal lies in its ability to bridge the gap between theoretical understanding and practical applications, making it essential reading for students and scholars seeking to advance their knowledge and research in molecular modeling.

JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Bridging Science and Design in Molecular Graphics
Publisher: ELSEVIER SCIENCE INCISSN: 1093-3263Frequency: 6 issues/year

JOURNAL OF MOLECULAR GRAPHICS & MODELLING, published by Elsevier Science Inc, is a leading peer-reviewed journal dedicated to the fields of molecular graphics and modeling. With an ISSN of 1093-3263 and an E-ISSN of 1873-4243, this journal has established its relevance since its inception in 1997, and continues to thrive as it extends its scope into 2024. Acknowledged for its impact in the academic community, it holds a Q2 ranking in both Computer Graphics and Computer-Aided Design and Materials Chemistry, as well as a Q3 ranking in Physical and Theoretical Chemistry and Spectroscopy, reflecting its significance across multidisciplinary research domains. Notably, the journal ranks in the 73rd percentile for Computer Graphics and maintains competitive standings in Materials Science and Chemistry areas. Although it does not currently offer open access options, the journal is an essential resource for researchers, professionals, and students who are engaged in cutting-edge studies and applications in molecular graphics, computational methods, and material design. By facilitating a deeper understanding of molecular interactions through innovative graphical modeling, the journal contributes significantly to advancements in science and technology.

INTERNATIONAL JOURNAL OF CHEMICAL KINETICS

Exploring the pulse of chemical reactions since 1969.
Publisher: WILEYISSN: 0538-8066Frequency: 12 issues/year

The INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, published by Wiley, is a leading journal that covers significant advancements and fundamental research in the field of chemical kinetics. Established in 1969, this peer-reviewed journal not only emphasizes kinetics in solution and gas-phase reactions but also addresses theoretical approaches and experimental applications in various branches of chemistry including biochemistry, inorganic chemistry, organic chemistry, and physical chemistry. As of 2023, it holds a respectable Q2 ranking in Inorganic Chemistry and Q3 in the other chemistry categories, reflecting its substantial impact on the scientific community. With a commitment to disseminating high-quality research, the journal is an indispensable resource for researchers, educators, and students seeking to deepen their understanding of chemical dynamics. Its compilation of articles and reviews ensures that it remains a cornerstone for innovative studies and discussions within the field.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Exploring the Quantum Frontier of Chemistry
Publisher: WILEYISSN: 0020-7608Frequency: 24 issues/year

International Journal of Quantum Chemistry is a distinguished scholarly publication that has been at the forefront of advancements in the realm of quantum chemistry since its inception in 1967. Published by Wiley in the United States, this journal holds a significant place in the academic community, currently indexed in the Q3 quartile across various categories including Atomic and Molecular Physics, Condensed Matter Physics, and Physical and Theoretical Chemistry. With an ISSN of 0020-7608 and an E-ISSN of 1097-461X, the journal offers a platform for researchers and professionals to disseminate cutting-edge findings in quantum chemical research. While it operates under a traditional subscription model, the journal remains committed to enhancing the visibility of its contributions within the scientific community. With a convergence of research that spans from 1967 to 2024, the International Journal of Quantum Chemistry is pivotal for anyone looking to advance their understanding and application of quantum principles in chemistry, providing valuable insights into the microscopic interactions that govern matter and its properties.

CHEMPHYSCHEM

Fostering High-Impact Discoveries in Theoretical and Experimental Science
Publisher: WILEY-V C H VERLAG GMBHISSN: 1439-4235Frequency: 24 issues/year

CHEMPHYSCHEM, published by WILEY-V C H VERLAG GMBH in Germany, stands as a pivotal resource for researchers and professionals in the fields of Atomic and Molecular Physics, as well as Physical and Theoretical Chemistry. With a commendable impact across its converged years from 2000 to 2024, the journal is categorized in the second quartile (Q2) for both aforementioned fields according to the 2023 metrics, underscoring its significance in advancing scientific dialogue and research. CHEMPHYSCHEM is committed to disseminating high-quality, peer-reviewed research articles that delve into the intricate interplay between chemistry and physics, making it an essential read for students and experts alike. The journal does not currently offer open access options, allowing for focused scholarly discussions that cater to the academic community's needs. As reflected in its Scopus rankings, CHEMPHYSCHEM maintains respectable standings, ranking #84/224 and #90/189 in its respective categories, demonstrating its commitment to high-impact research and innovation.

JOURNAL OF STRUCTURAL CHEMISTRY

Unveiling the Complexities of Molecular Structures
Publisher: PLEIADES PUBLISHING INCISSN: 0022-4766Frequency: 8 issues/year

The JOURNAL OF STRUCTURAL CHEMISTRY, published by PLEIADES PUBLISHING INC, is a premier resource in the fields of Inorganic Chemistry, Materials Chemistry, and Physical and Theoretical Chemistry. Established in 1960, this journal has been providing a platform for groundbreaking research, facilitating the advancement of knowledge and innovation up to the year 2024. With an ISSN of 0022-4766 and an E-ISSN of 1573-8779, this journal strives to maintain high academic standards, as evidenced by its quartile rankings in 2023, where it ranks Q4 across various chemistry categories. While it currently does not offer open access, the journal's insightful articles are crucial for professionals and students seeking to enhance their understanding and expertise in structural chemistry. Subscribers can expect a comprehensive collection of peer-reviewed research, empirical findings, and theoretical discussions that contribute significantly to the scientific community. With its strong historical foundation and ongoing commitment to quality, the JOURNAL OF STRUCTURAL CHEMISTRY continues to be an essential resource for those passionate about the complexities of structural chemistry.

Journal of Computer Chemistry-Japan

Elevating Research in Computational Methods and Techniques
Publisher: SOC COMPUTER CHEMISTRY, JAPANISSN: 1347-1767Frequency: 6 issues/year

Journal of Computer Chemistry-Japan, published by SOC COMPUTER CHEMISTRY, JAPAN, is a dedicated platform for researchers and professionals in the interdisciplinary fields of computational chemistry and chemical informatics. Though the journal does not currently provide open access, it maintains a rigorous selection process for contributions, ensuring the publication of high-quality, peer-reviewed research. With a focus on advancing computational methods and techniques to solve complex chemical problems, the journal aims to bridge the gap between theoretical chemistry and practical applications, making it an invaluable resource for academics and industry professionals alike. As the complexity of chemical systems continues to rise, the relevance of computational approaches in material science, drug discovery, and molecular modeling has never been more critical. Researchers are encouraged to engage with the contents of this journal, which showcases innovative studies, methodologies, and discussions relevant to the evolving landscape of computer-aided chemistry.

SUPRAMOLECULAR CHEMISTRY

Fostering Collaboration in Supramolecular Research
Publisher: TAYLOR & FRANCIS LTDISSN: 1061-0278Frequency: 12 issues/year

Supramolecular Chemistry, published by Taylor & Francis Ltd, is a pivotal journal in the field of chemistry, showcasing innovative research that transcends traditional molecular boundaries. With an ISSN of 1061-0278 and E-ISSN of 1029-0478, this journal has been a central resource for scholars since its inception in 1992 and is set to continue its impactful contributions through 2024. Ranked in the third quartile (Q3) of miscellaneous chemistry categories and holding a commendable place at #194 out of 408 in the general chemistry rankings according to Scopus, the journal provides a platform for the dissemination of groundbreaking studies that explore the interactions and behavioral patterns of supramolecular systems. Although it does not currently offer open access, its rich content is accessed by a wide audience, fueling advancement and collaboration among researchers, professionals, and students interested in the intricate world of supramolecular science. By regularly publishing peer-reviewed articles, this journal is crucial for anyone seeking to deepen their understanding of complex chemical systems and their applications across diverse fields.