Journals in Physical and theoretical chemistry
Journals in Physical and theoretical chemistry
Our portfolio covers quantum chemistry, molecular dynamics, spectroscopy, and thermodynamics. Featuring state-of-the-art theoretical models and experimental techniques, these resources support researchers and students in understanding molecular behavior and predicting chemical phenomena. Emphasizing computational advances and interdisciplinary insights, the titles address fundamental questions and innovative applications in energy, materials, and nanotechnology.
- ISSN: 0009-2614
Chemical Physics Letters
Frontier research in molecular sciences, materials and biological systemsChemical Physics Letters publishes brief reports on molecules, interfaces, condensed phases, nanomaterials and nanostructures, polymers, biomolecular systems, and energy conversion and storage.Criteria for publication are quality, urgency and impact. Further, experimental results reported in the journal have direct relevance for theory, and theoretical developments or non-routine computations relate directly to experiment. Manuscripts must satisfy these criteria and should not be minor extensions of previous work.Benefits to authors We also provide many author benefits, such as free PDFs, a liberal copyright policy, special discounts on Elsevier publications and much more. Please click here for more information on our author services.Please see our Guide for Authors for information on article submission. If you require any further information or help, please visit our Support Center
- ISSN: 1093-3263
Journal of Molecular Graphics and Modelling
The Journal of Molecular Graphics and Modelling is devoted to the publication of papers on the uses of computers in theoretical investigations of molecular structure, function, interaction, and design. The scope of the journal includes all aspects of molecular modeling and computational chemistry, including, for instance, the study of molecular shape and properties, molecular simulations, protein and polymer engineering, drug design, materials design, structure-activity and structure-property relationships, database mining, and compound library design.As a primary research journal, JMGM seeks to bring new knowledge to the attention of our readers. As such, submissions to the journal need to not only report results, but must draw conclusions and explore implications of the work presented. Authors are strongly encouraged to bear this in mind when preparing manuscripts. Routine applications of standard modelling approaches, providing only very limited new scientific insight, will not meet our criteria for publication. Reproducibility of reported calculations is an important issue. Wherever possible, we urge authors to enhance their papers with Supplementary Data, for example, in QSAR studies machine-readable versions of molecular datasets or in the development of new force-field parameters versions of the topology and force field parameter files. Routine applications of existing methods that do not lead to genuinely new insight will not be considered.JMGM is published in association with two of the largest and most active professional societies in the field: the Molecular Graphics and Modelling Society (MGMS) and the Computers in Chemistry (COMP) Division of the American Chemical Society. Several thousand computational chemists worldwide belong to these two societies and any research topic that may of interest to the membership is within the wide scope of the journal. It is not necessary to be a member of these professional societies to publish in the journal.Published in association with the Molecular Graphics and Modelling Society www.mgms.org and the ACS Division of Computers in Chemistry.
- ISSN: 0040-6031
Thermochimica Acta
An International Journal Concerned with All Aspects of Thermoanalytical and Calorimetric Methods and their Application to Experimental Chemistry, Physics, Biology and EngineeringThermochi... Acta publishes original research contributions covering all aspects of thermoanalytical and calorimetric methods and their application to experimental chemistry, physics, biology and engineering. The journal aims to span the whole range from fundamental research to practical application.The journal focuses on the research that advances physical and analytical science of thermal phenomena. Therefore, the manuscripts are expected to provide important insights into the thermal phenomena studied or to propose significant improvements of analytical or computational techniques employed in thermal studies. Manuscripts that report the results of routine thermal measurements are not suitable for publication in Thermochimica Acta.The journal particularly welcomes papers from newly emerging areas as well as from the traditional strength areas: - New and improved instrumentation and methods - Thermal properties and behavior of materials - Kinetics of thermally stimulated processesEach paper submitted for publication should clearly present: a) Scientific motivation (i.e., why this study is of interest); b) Relevance to the stated scope of Thermochimica Acta (i.e., why thermal methods play a crucial role in the study, or why this study is important for the use and development of thermal methods); c) General significance of the obtained results (i.e., how this study contributes to the advancement of knowledge in the general area of the study). Note that novelty of a study does not necessarily imply general significance of the results.Manuscripts reporting results of kinetic studies are expected to follow the ICTAC Kinetics Committee recommendations for collecting kinetic data (Thermochim. Acta 590 (2014) 1-23, and for performing kinetic computations (Thermochim. Acta 520 (2011) 1-19). The journal publishes regular full-length articles, short communications (either novel, unexpected theoretical or experimental results or short reports of collections of new data), and reviews (usually invited by an Editor, but proposals from authors are welcome).
- ISSN: 0301-0104
Chemical Physics
Frontier research on physical phenomena in chemistry, biology and materials scienceCriteria for publication in Chemical Physics are novelty, quality and general interest in experimental and theoretical chemical physics and physical chemistry. Articles are welcome that deal with problems of electronic and structural dynamics, reaction mechanisms, fundamental aspects of catalysis, solar energy conversion and chemical reactions in general, involving atoms, molecules, proteins, clusters, surfaces, interfaces and bulk matter. Reports on new methodologies and comprehensive assessments of existing ones, as well as applications to new types of problems are especially welcome. Experimental papers are expected to be brought into relation with theory, and theoretical papers should be connected to present or future experiments. Manuscripts that apply standard methods to specific physical-chemical problems and/or to specific systems are appropriate if they report novel results for an important problem of high interest and/or if they provide significant new insights.Manuscripts describing routine use or minor extensions or modifications of established and/or published experimental and theoretical methodologies are not appropriate for the journal. In addition, manuscripts describing analytical procedures that use established spectroscopic techniques, such as for sample characterization, will not be accepted for publication, even if they appear new or improved with respect to procedures previously used.In addition to regular research papers, Chemical Physics publishes invited perspectives articles (called ChemPhys Perspectives) and Special Thematic Issues. Each Chemical Physics Special Issue provides a snapshot of the leading edge in current research of a particular field in chemical physics, and contains invited articles by specialists in that field. The objective is to create a collection of articles representative of the newest findings in a field and equivalent to that covered at a topical conference.
- ISSN: 0378-7753
Journal of Power Sources
Journal of Power Sources serves as a premier global forum for publishing high-impact research and critical reviews that shape the future of electrochemical energy technologies. The journal distinguishes itself by providing comprehensive coverage of the entire value chain in electrochemical power sources—from fundamental materials discoveries and component innovation to full-system integration, performance validation, and real-world deployment. Our mission is to advance both scientific discoveries and application-driven technology development, bridging fundamental research with practical implementation to accelerate the transition to a clean, electrified global economy.We seek transformative research that drives progress across the following examples:• Next-generation batteries (e.g., lithium-based, sodium-based, zinc-based, and multivalent battery systems)• Metal–air batteries, redox flow batteries, supercapacitors, and hybrid energy storage–conversion devices• Fuel cells, electrolyzers, advanced electrocatalysts, and photoelectrochemical cells• Electrochemical CO₂ reduction and ammonia synthesisPriority areas include:• Materials electrochemistry to unlock step-change performance, safety, cost, efficiency, and reliability• Component engineering and scalable manufacturing for higher technology readiness• Artificial intelligence (AI)-driven design, machine learning, and multiscale simulations to accelerate discovery, enhance predictive modeling, and optimize system performance, substantiated by experimental validation• Advanced, multi-scale characterization and diagnostics, including in situ, operando, and postmortem analysis of materials and interfaces• Mechanistic studies of degradation and aging phenomena to extend device lifespan and reliability• System-level integration, prototyping, and performance validation in real-world applications• Sector-specific applications, from electric mobility and grid infrastructure to aerospace and portable devices• Circular economy solutions, including recycling, critical materials, supply chain, and lifecycle sustainability analysisSector-speci... applications are considered in scope only when they directly involve or advance the electrochemistry of materials and components.The Journal of Power Sources welcomes experimental, and experimentally validated theoretical and computational contributions, that demonstrate rigor, excellence, and impact for academia, industry, and policy.
- ISSN: 0920-5861
Catalysis Today
A Serial Publication Featuring Topical Themes in Catalysis and Related Subjects: Click Here for the Full List of Special Issues Published in Catalysis Today.Catalysis Today focuses on the rapid publication of original invited papers devoted to currently important topics in catalysis and related subjects. The journal only publishes special issues (Proposing a Catalysis Today Special Issue), each of which is supervised by Guest Editors who recruit individual papers and oversee the peer review process. Catalysis Today offers researchers in the field of catalysis in-depth overviews of topical issues.Both fundamental and applied aspects of catalysis are covered. Subjects such as catalysis of immobilized organometallic and biocatalytic systems are welcome. Subjects related to catalysis such as experimental techniques, adsorption, process technology, synthesis, in situ characterization, computational, theoretical modeling, imaging and others are included if there is a clear relationship to catalysis.Each issue of Catalysis Today covers a distinct topic. Types of publication are:Selected papers based on a symposia, workshop, or conference.Review articles, in-depth tutorials, or original publications on a common theme.Monographs (detailed papers covering a specific subject, typically of sufficient scope to constitute a full journal issue).Researchers who would like to serve as Guest Editors are encouraged to contact any of the journal Editors to answer specific questions.
- ISSN: 1386-1425
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (SAA) is an interdisciplinary journal which spans from basic to applied aspects of optical spectroscopy in chemistry, medicine, biology, and materials science. The journal publishes original scientific papers that feature high-quality spectroscopic data and analysis. From the broad range of optical spectroscopies, the emphasis is on electronic, vibrational or rotational spectra of molecules, rather than on spectroscopy based on magnetic moments. Criteria for publication in SAA are novelty, uniqueness, and outstanding quality. Routine applications of spectroscopic techniques and computational methods are not appropriate. Topics of particular interest of Spectrochimica Acta Part A include, but are not limited to:Spectroscopy and dynamics of bioanalytical, biomedical, environmental, and atmospheric sciences,Novel experimental techniques or instrumentation for molecular spectroscopy,Novel theoretical and computational methods,Novel applications in photochemistry and photobiology,Novel interpretational approaches as well as advances in data analysis based on electronic or vibrational spectroscopy.In case you would like to propose yourself as a reviewer for Spectrochimica Acta A: Molecular and Biomolecular Spectroscopy (SAA) use our reviewer recognition platform. There you can create an entry on the page "My Elsevier Reviews Profile". This will create a standard, Elsevier-wide way of recording and acknowledging your efforts.In order for your application to become a reviewer to be considered by the editorial team of Spectrochimica Acta A, please fill out the online form at: https://www.reviewer...
- ISSN: 0925-4005
Sensors and Actuators B: Chemical
Sensors & Actuators, B: Chemical is an international journal devoted to research and development of chemical transducers. It is an interdisciplinary journal dedicated to publishing research and development in the field of chemical sensors and biosensors, chemical actuators and analytical microsystems. The journal aims to promote original works that demonstrate significant progress beyond the current state of the art in these fields along with applicability to solve meaningful analytical problems. Review articles may only be submitted upon invitation from an Editor of the journal.The journal aims to publish works that are supported by experimental results and as such purely theoretical works are not accepted. The analytical performance in all analytical parameters needs to be reported and critically compared with the state of the art. Sensing applications will be considered only if they refer to analytically challenging complex samples and are properly validated.The scope of the journal encompasses, but is not restricted to, the following areas:Novel chemical sensing and biosensing concepts, mechanisms and detection principlesDevelopmen... of chemical sensors and biosensorsFabricatio... technology of chemical sensors, biosensors, chip-based detection devices and chemical actuatorsChemical actuators including soft actuators, micro- and nanomotors, microfluidic componentsPhotonic and biophotonic sensors and chemical sensing systemsLab-on-a-chip... Micro Total Analysis Systems (µTAS) and other biochips and microarray systemsSensor and sensor-array chemometricsReports on new materials, chemical components and fabrication technologies claimed to be relevant to chemical sensing and actuation will be considered for publication only if an immediate application in that respect is presented or it presents in a novel concept or mechanism.
- ISSN: 0013-4686
Electrochimica Acta
The official journal of the International Society of Electrochemistry (ISE) Electrochimica Acta is an international journal publishing the highest quality original work and reviews in the field of electrochemistry and electrochemical engineering. This encompasses experimental, theoretical, computational and artificial intelligence or machine learning studies for which the primary focus is advancement of electrochemistry. These include fundamental studies, technique development, and application to devices associated with:bioanalytical electrochemistry bioelectrochemistry electroactive materials electrocatalysis electrochemical deionization electrochemical energy generation, conversion and storage electrochemical phenomena in general electrochemical engineering electrosynthesis environmental monitoring and remediation interfacial structure and dynamicsnatural resources extraction surface finishing and protectionElectroche... is interpreted in the broadest sense to include all aspects covered by the Divisions of the International Society of Electrochemistry listed below:Analytical Electrochemistry Bioelectrochemistry Electrochemical Energy Conversion and Storage Electrochemical Materials Science Electrochemical Process Engineering and Technology Molecular Electrochemistry Physical ElectrochemistryArti... in emerging scientific domains reliant upon electrochemistry are also welcome.Authors are advised that manuscripts primarily describing materials synthesis, experimental or computational results, or performance data—without contributing novel insights into electrochemical processes or phenomena—fall outside the scope of Electrochimica Acta. The mere use of electrochemical techniques for materials or device characterisation does not, by itself, qualify as an electrochemical study.In addition to individual articles, the Journal publishes collections of articles associated with electrochemistry conferences or of a thematic nature. These may be by invitation, or potential Guest Editors may approach the Journal with a proposal for consideration. Contributions will be subject to peer review in the normal manner.The Journal places no lower limit on the length of manuscripts, provided that they present a complete study, with no undue fragmentation of the literature ensuring that citations reflect a balanced and comprehensive overview of the global research landscape. The Journal will not publish papers which have appeared partially or completely in other journals, which plagiarise other works, or are incompletely referenced. Inquiries, including those related to current submissions and papers accepted for publication and currently in production should be addressed to electrochimica.acta@...
- ISSN: 1090-7807
Journal of Magnetic Resonance
JMR (Journal of Magnetic Resonance) presents original technical and scientific papers in all aspects of magnetic resonance, including nuclear magnetic resonance spectroscopy (NMR) of solids and liquids, electron spin/paramagnetic resonance (EPR), in vivo magnetic resonance imaging (MRI) and spectroscopy (MRS), nuclear quadrupole resonance (NQR) and magnetic resonance phenomena at nearly zero fields or in combination with optics. JMR's main aims include deepening the physical principles underlying all these spectroscopies, publishing significant theoretical and experimental results leading to spectral and spatial progress in these areas, and opening new MR-based applications in chemistry, biology and medicine. JMR also seeks descriptions of novel apparatuses, new experimental protocols, and new procedures of data analysis and interpretation - including computational and quantum-mechanical methods - capable of advancing MR spectroscopy and imaging.With a solid track record spanning over four decades, JMR is known for introducing high-quality, breakthrough articles. These have been seminal to the current state-of-the-art achieved by NMR, ESR, MRI and NQR, and it is a tradition we aim to preserve and enlarge. JMR spans the full range of disciplines impacted by magnetic resonance, including experts interested in magnetic resonance within the context of physics, engineering, materials sciences, chemistry, biophysics, structural biology, in vivo biochemistry, biology, preclinical analyses, and human imaging.Emphasis is placed on expanding the basic principles and techniques underlying this branch of spectroscopy, as well as on state-of-the-art applications of novel MR experiments to all the research areas of interest to our constituency. Manuscripts that only make routine use of well-established techniques or minor spectroscopic contributions, are not appropriate for JMR.Open Data: JMR encourages authors to deposit their datasets publicly available on Mendeley Data (http://data.mendele... They are also welcome to submit manuscripts to the JMR's open access companion title, Journal of Magnetic Resonance Open (JMRO).JMR is an official journal of the International Society of Magnetic Resonance (ISMAR).