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International Journal of Molecular Sciences publishes Special Issues to create collections of papers on specific topics, with the aim of building a community of authors and readers to discuss the latest research and develop new ideas and research directions. Special Issues are led by Guest Editors, who are experts on the topic and all Special Issue submissions follow MDPI's standard editorial process. The journal’s Editor-in-Chief and/or designated Editorial Board Member will oversee Guest Editor appointments and Special Issue proposals, checking their content for relevance and ensuring the suitability of the material for the journal. The papers published in a Special Issue will be collected and displayed on a dedicated page of the journal’s website. Further information on MDPI's Special Issue polices and Guest Editor responsibilities can be found here. For any inquiries related to a Special Issue, please contact the Editorial Office.

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Noncovalent Interactions and Applications in Materials and Catalysis
edited by Snežana D. Zarić
submission deadline 29 Aug 2024 | 2 articles | Viewed by 1887
Keywords: noncovalent interactions; materials; catalysis; crystal structures; quantum chemistry calculations; hydrogen bonds; stacking interactions; spectroscopy
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Metal Sulfide-Based Photocatalysts for Environmental Remediation and Green Energy Production
edited by
submission deadline 30 Aug 2024 | 4 articles | Viewed by 9108 | Submission Open
Keywords: metal sulfides; photocatalytic materials; photocatalysis technology; wastewater treatment; water disinfection; air purification; hydrogen production; self-cleaning surfaces
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Photochemistry in Molecular Clusters
edited by
submission deadline 30 Aug 2024 | 1 articles | Viewed by 1537 | Submission Open
Keywords: photochemistry; fluorescence; phosphorescence; laser spectroscopy; electronic excited states; excited state relaxation; time-dependent density functional theory; molecular switches
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Electron and Radical Induced Chemistry and Related Applications
edited by
submission deadline 30 Aug 2024 | Viewed by 177 | Submission Open
Keywords: ion beam interaction with biomoles; low energy electrons and positron interactions; reactive species; modelling particle transport; molecular radiosensitizers; molecular-damaging reactions; ion beam radiotherapy; intraoperational electron beam therapy; radiobiological studies
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Transition Metal Catalysis: From Synthesis to Late-Stage Functionalization of Aromatics and Heterocycles submission deadline 31 Aug 2024 | 1 articles | Viewed by 800 | Submission Open
Keywords: transition metal catalysis; homogeneous catalysis; heterogeneous catalysis; cross-couplings; synthesis of aromatics and heteroaromatics; late-stage functionalization; photo-; electro-; flow; mechanochemistry; medicinal chemistry; material sciences; bioinorganic chemistry; industrial processes
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Adsorption Materials and Adsorption Behavior 3.0
edited by
submission deadline 31 Aug 2024 | Viewed by 334 | Submission Open
Keywords: adsorption; adsorption materials; adsorption behavior; adsorption mechanisms; adsorption thermodynamics and kinetics; resource extraction; pollutant removal; separation
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Recent Research in Supramolecular Chemistry
edited by and
submission deadline 15 Sep 2024 | 2 articles | Viewed by 2374 | Submission Open
Keywords: chirality; enantiomers; enantioseparation; polymers; molecular modelling
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Chemical Bond and Bonding: Fundamental Aspects and Recent Developments
edited by Sudip Pan
submission deadline 20 Sep 2024 | 2 articles | Viewed by 2086 | Submission Open
Keywords: bonding; covalent bond; coordination bond; non-covalent bond; metallic and ionic bond; hydrogen bond; halogen bond; chalcogen bond; weak bonding
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Molecular Novelties in Chiral Enantioseparation and Discrimination submission deadline 28 Sep 2024 | 2 articles | Viewed by 1457 | Submission Open
Keywords: chiral chromatography; enantiomers; racemates; enantioseparation; chiral stationary phases (CSPs); high-performance liquid chromatography (HPLC); ultra-performance liquid chromatography (UPLC); supercritical fluid chromatography (SFC)
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Recent Advances in Photolysis and Photodegradation
edited by
submission deadline 30 Sep 2024 | 4 articles | Viewed by 3516 | Submission Open
Keywords: indirect photolysis; photosensitized oxidation; biophotolysis; photodissociation; photofragmentation; ultraviolet radiation; photoactive drugs
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Advanced Fuel Cells: Design, Synthesis and Photoelectrocatalyst Applications submission deadline 30 Sep 2024 | 2 articles | Viewed by 3472 | Submission Open
Keywords: design; electrocatalyst; photoelectrocatalyst; fuel cells; hydrogen oxidation reaction; methanol oxidation reactions; oxygen reduction reactions; CO2  capture; degradation of organic pollutants
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Molecular Applications of Technologies and Techniques for the Extraction of Simple Molecules and Compounds
edited by
submission deadline 30 Sep 2024 | Viewed by 207 | Submission Open
Keywords: sample preparation; natural product extraction; purification; pollutant extraction; nutraceutical extraction; extraction of environmental indicators; magnetic extraction; green analytical chemistry; liquid– liquid (micro)extraction; cloud point (micro)extraction; solid phase (micro)extraction; pressurized liquid extraction; ultrasound-assisted extraction; microwave-assisted extraction; deep eutectic solvents; supercritical fluid extraction; molecularly imprinted polymers; QuEChERS (quick; easy; cheap; effective; rugged and safe)
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
FTIR Miscrospectroscopy: Opportunities and Challenges
edited by Simona Sabbatini
submission deadline 20 Oct 2024 | 2 articles | Viewed by 2274 | Submission Open
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Molecular Structure, Electronic and Vibrational Spectra: Experiment and Theoretical Calculations in Fundamental Science and Materials Science
edited by
submission deadline 30 Oct 2024 | 2 articles | Viewed by 2613 | Submission Open
Keywords: molecular structure; nature of chemical bonding; IR spectra; EA spectra; NMR; XRD; DFT; ab initio
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Advanced Oxidation Processes and Biodegradation for Emerging Contaminants Treatment
edited by and
submission deadline 31 Oct 2024 | 5 articles | Viewed by 10997 | Submission Open
Keywords: advanced oxidation processes; persistent organic compounds; water pollution control; biodegradation; emerging contaminants; water treatment; wastewater treatment; toxicity assessment
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Advances in Ionic Liquids and Their Pharmaceutical Applications submission deadline 31 Oct 2024 | 3 articles | Viewed by 6146 | Submission Open
Keywords: ionic liquid; active pharmaceutical ingredient; drug delivery; human toxicity; environmental impact; pharmaceutical industry; pharmaceutical efficiency
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Recent Advances in Organic Chemistry: Molecules Synthesis and Reactions submission deadline 31 Oct 2024 | 5 articles | Viewed by 3685 | Submission Open
Keywords: bioactive natural products; organocatalysis; photoredox reactions; free-radical reactions; organometallic reactions; organic synthesis
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Design and Application of Organic Superbases—from Theory to Experiment submission deadline 31 Oct 2024 | 3 articles | Viewed by 2623 | Submission Open
Keywords: organic superbases; computational study; synthesis; structrue-function relationship; catalysis
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Recent Advances in Photocatalysis: An Innovation in Catalysis submission deadline 31 Oct 2024 | 1 articles | Viewed by 983 | Submission Open
Keywords: semiconducting nanostructures; photocatalyst immobilized on substrates; hybrid composites; metal-free photocatalyst; photocatalysis mechanism; pollutant removal; hydrogen production; organic synthesis
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Exploring New Field in Hydrocolloids Research and Applications
edited by , Cristina Elena Dinu-Pirvu and
submission deadline 31 Oct 2024 | Viewed by 158 | Submission Open
Keywords: drug delivery systems; controlled-release; targeted delivery; wound healing; tissue engineering; bioadhesive agents; transdermal patches; mucoadhesive hydrogels; ophthalmic preparations; oral disintegrating films; gastroretentive systems; rheology modifiers; textural characteristics; stabilizing agents; encapsulation for protection and stability (drugs; probiotics and bioactive compounds); 3D bioprinting; nutraceutical delivery
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Fundamental and Applicative Scientific Motivations to Pass the Border between Natural Multifunctional Molecules and Their Biomimetic Artificial Derivatives submission deadline 31 Oct 2024 | Viewed by 130 | Submission Open
Keywords: multifunctional compounds (MFCs); heterocyclic building blocks; macrocycles nanomaterials; clinical applications; nanomedicine; nanoenergy; cell cycle determination; medicinal chemistry; technical applications; computational chemistry
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Research and Development of Novel Electroactive Materials for Reduction/Oxidation Processes
edited by
submission deadline 31 Oct 2024 | Viewed by 107 | Submission Open
Keywords: electrochemistry; electrocatalysis; synthesis of metallic electrode materials; fabrication of alloys; crystalline structure modification; tailoring of the electrode morphology
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Single-Atom Catalysts for Small Molecule Transformation
edited by Aijuan Han
submission deadline 31 Oct 2024 | Viewed by 73 | Submission Open
Keywords: single-atom catalyst; small molecule transformation; rational design; applications
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Synthesis, Characterization and Phyto-Function of Nanophotocatalysts submission deadline 20 Nov 2024 | 2 articles | Viewed by 5406 | Submission Open
Keywords: nanophotocatalysts; green synthesis; hydrogen generation; pollutants; fine chemistry; photoinactivation; cancer; microorganisms
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Recent Advances in Luminescence: From Mechanisms to Applications submission deadline 20 Nov 2024 | 4 articles | Viewed by 4308 | Submission Open
Keywords: photoluminescence; halide perovskites; bioimaging; phonon-assisted upconversion; fluorescent sensors; photoluminescence microspectroscopy; luminescent nanothermometry; luminescence of biological tissues; color centers; quantum dots
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Recent Progress in Addition Reactions and Organic Synthesis
edited by
submission deadline 20 Nov 2024 | 2 articles | Viewed by 1815 | Submission Open
Keywords: addition reactions; organic synthesis; synthesis mechanism
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Advancements in Pincer Ligand Chemistry
edited by
submission deadline 30 Nov 2024 | 1 articles | Viewed by 453 | Submission Open
Keywords: pincer ligands; metal complexes; tridentate ligands; catalysis; organometallic chemistry; homogenous catalysis; ligand tunability
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
The Emerging Role of Heterogeneous Catalysis submission deadline 30 Nov 2024 | Viewed by 139 | Submission Open
Keywords: heterogeneous catalysis; characterization of catalysts; relationship catalyst-structure; design of catalyst; influence of the support; surface properties; theoretical approaches
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Design, Synthesis and Applications of the Task-Specific Molecules
edited by and
submission deadline 30 Nov 2024 | Viewed by 86 | Submission Open
Keywords: task-specific molecules; molecular design and synthesis; physical/chemical absorption; catalysis (including electrocatalysis; photocatalysis; etc.); mechanism on the molecular level; molecular dynamic simulations; optical materials; optoelectronic devices; photoelectric detection; semiconductors
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
New Insights into Catalytic Kinetics
edited by Donald S. Gamble
submission deadline 30 Nov 2024 | Viewed by 82 | Submission Open
Keywords: chemical kinetics; physical chemistry; spectroscopic; mass spectrometry; chemical sorption
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Chemical Applications of Excited States: Method Development and Current Progress
edited by
submission deadline 20 Dec 2024 | 3 articles | Viewed by 3873 | Submission Open
Keywords: quantum chemistry; excited states; light absorption; light emission; fluorescence; phosphorescence; nonradiative processes; photophysics; photochemistry; energy transfer; charge transfer; photoinduced proton transfer; excited state dynamics
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Recent Trends in Stereoselective Synthesis and Chiral Catalysis
edited by
submission deadline 20 Dec 2024 | 4 articles | Viewed by 3600 | Submission Open
Keywords: chiral synthesis; natural source; stereoselective; bioactive compounds; organocatalysis; chiral pools; biomolecules; pharmacological activity; chiral building blocks
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Synthesis, Properties and Biological Evaluation of Ferrocene-Modified Peptides and Biomolecules
edited by Lidija Barišić
submission deadline 20 Dec 2024 | 1 articles | Viewed by 956 | Submission Open
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Enantioselective Homogenous Catalysis in the Presence of Small Molecules of Natural Origin
edited by Tomasz Bauer
submission deadline 20 Dec 2024 | 1 articles | Viewed by 813 | Submission Open
Keywords: homogenous catalysis; ligands derived from small chiral compounds of natural origin; asymmetric organic synthesis
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Latest Review Papers in Physical Chemistry and Chemical Physics 2024
edited by
submission deadline 20 Dec 2024 | Viewed by 313 | Submission Open
Keywords: heterogeneous structures; alignment and surface phenomena; quantum theory; statistical and classical mechanics; molecular structure; chemical kinetics; dynamics; kinetics; photochemistry; spectroscopy
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Electronic and Steric Effects of Catalysts on Polymerization Mechanisms
edited by Lucia Caporaso and
submission deadline 20 Dec 2024 | Viewed by 143 | Submission Open
Keywords: homogeneous catalysis; stereospecific polymerization; polymer synthesis; polymer characterization
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Chemical Bonds and Binding Mechanisms in Transition Metal Catalysis
edited by
submission deadline 20 Dec 2024 | Viewed by 49 | Submission Open
Keywords: chemical bonds; binding mechanisms; transition metal catalysis; catalysts; enantioselective synthetic pathways; transition metals; coordination compounds
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Previtreous Behavior in Glass-Forming Systems: The Impact of Molecular Structure submission deadline 30 Dec 2024 | Viewed by 30 | Submission Open
Keywords: glass transition; orientational-translational decoupling; non-primary relaxation processes
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Recent Advances on Fluorine Chemistry
edited by
submission deadline 31 Dec 2024 | 7 articles | Viewed by 7109 | Submission Open
Keywords: fluorine; оrganofluorine compounds; fluorine-containing building blocks; fluorine introduction; defluorination; fluorocarbons; fluorine NMR; fluorine biocatalysis; trifluoromethyl; lipophilicity; fluorine drugs
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
New Processes and Applications of Plasma in Liquids
edited by
submission deadline 31 Dec 2024 | Viewed by 214 | Submission Open
Keywords: plasma in liquids; water decontamination; plasma-activated water; hydrogels; plasma medicine; polymerization in liquids; plasma agriculture
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Attosecond Science: Toward Applications in Biology, Chemistry and Medicine
edited by
submission deadline 31 Dec 2024 | Viewed by 106 | Submission Open
Keywords: ultrafast light– matter interaction; high-harmonic generation; strong-field ionization; free-electron laser (FEL) ultrafast sources
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Synthesis, Structure and Catalytic Properties of Transition Metal Complexes submission deadline 31 Dec 2024 | Viewed by 60 | Submission Open
Keywords: transition metal complexes; structural characteristics; catalytic roles
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
NMR Spectroscopy in Materials Chemistry submission deadline 20 Jan 2025 | 6 articles | Viewed by 11362 | Submission Open
Keywords: NMR; gas-phase NMR; solid-state NMR; quantum chemistry; chemical shift; shielding constant; spin-spin coupling constant
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Electrochemical Behavior and Application of Advanced Electrode Materials 2.0
edited by
submission deadline 20 Jan 2025 | 3 articles | Viewed by 4344 | Submission Open
Keywords: batteries; fuel cells; supercapacitors; electrocatalysis; energy materials; electrodes; separators; electrochemical behavior
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Carbon-Based Adsorbents: Working Mechanisms, Applications and New Devices submission deadline 20 Jan 2025 | 1 articles | Viewed by 1204 | Submission Open
Keywords: carbon-based adsorbents; graphitic carbon materials; adsorption and catalysis mechanism; solid-phase extraction; separation techniques; spectroscopic characterization
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Supramolecular Receptors for Cations and Anions submission deadline 20 Jan 2025 | 1 articles | Viewed by 1169 | Submission Open
Keywords: supramolecular ion sensors; thermodynamics and kinetics of ion binding; ion detection and recognition; stability constant determination; reaction kinetics measurements
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Advanced Spectroscopy Research: New Findings and Perspectives
edited by
submission deadline 30 Jan 2025 | Viewed by 322 | Submission Open
Keywords: molecular spectroscopy; atomic spectroscopy; chemical analysis; molecular interaction; IR/FT-IR/ATR; Raman and SERS spectroscopy and imaging; UV-Vis; XRD; computational methods
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Electrochemistry: Molecular Advances and Challenges
edited by
submission deadline 31 Jan 2025 | Viewed by 79 | Submission Open
Keywords: fundamental electrochemistry; electroanalytical techniques; sensors and biosensors; nano-electrochemistry; electrochemical energy production and storage; environmental electrochemistry
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
Electrochemical Research of Metal Compounds and Its Energy Storage Applications
edited by
submission deadline 31 Jan 2025 | Viewed by 52 | Submission Open
Keywords: metal compounds; electrochemical; energy storage; batteries; fuel cells
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
New Progression of Developing Novel Chiral Separation Materials, Chiral Selectors and Chiral Products
edited by István Ilisz
submission deadline 31 Jan 2025 | Viewed by 20 | Submission Open
Keywords: chirality; enantioselective separations; chiral selector molecules; chiral stationary phases; chiral sensors; enantiorecognition; chiral separation mechanisms
(This special issue belongs to the Section Physical Chemistry and Chemical Physics)
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