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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 policies 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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Adsorption Materials and Adsorption Behavior: 3rd Edition

edited by

Jun Wang

submission deadline 30 Jul 2025 | 4 articles | Viewed by 5052 | 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)

Design, Synthesis and Applications of the Task-Specific Molecules

edited by

Ye Yuan

and

Yang Yang

submission deadline 20 Aug 2025 | 2 articles | Viewed by 2271 | 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)

Advanced Spectroscopy Research: New Findings and Perspectives

edited by

Marta Arczewska

submission deadline 20 Aug 2025 | Viewed by 1322 | 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)

Molecular Advances on Solubility and Diffusivity in Water-Based Systems and in Biological Media

edited by

Ana M. Mainar

and

José S. Urieta

submission deadline 20 Aug 2025 | 1 articles | Viewed by 932 | Submission Open

Keywords: water solubility ; water-solute interactions ; solvation; hydrophobic and hydrophilic effects ; improving water solubility and prediction ; solution of chemicals in biological media ; diffusivity ; drug transport and bioavailability; chemicals diffusivity across biological barriers

(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 20 Aug 2025 | 1 articles | Viewed by 895 | 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)

Transition Metal Catalysis: From Synthesis to Late-Stage Functionalization of Aromatics and Heterocycles

edited by

Antonio Del Vecchio

and

Fabio Bellina

submission deadline 30 Aug 2025 | 2 articles | Viewed by 3317 | 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)

Electron or Ion Transport in Electrochemistry

edited by Simone Sanna

submission deadline 30 Aug 2025 | Viewed by 115 | Submission Open

Keywords: solid oxide fuel cells; mixed ionic and electronic conductors; perovskite; fluorite; hydrogen; CO2 reduction; water splitting; energy conversion and storage

(This special issue belongs to the Section Physical Chemistry and Chemical Physics)

Feature Papers in ‘Physical Chemistry and Chemical Physics’: Fourth Edition

edited by

Dongho Kim

submission deadline 30 Aug 2025 | Viewed by 115 | Submission Open

Keywords: heterogeneous structures; alignment and surface phenomena; quantum theory; mathematical physics; statistical and classical mechanics; molecular structure; chemical kinetics; laser physics; dynamics; kinetics; photochemistry; spectroscopy; exciton dynamics; statistical mechanics; thermodynamics; electrochemistry; catalysis; surface science; quantum mechanics; theoretical developments; fundamental aspects of catalysis; solar energy conversion; polymer dynamics

(This special issue belongs to the Section Physical Chemistry and Chemical Physics)

Electrochemistry and Emerging Contaminants: Molecular Insights for Innovative Solutions

edited by

Miguel A. Esteso

submission deadline 30 Aug 2025 | Viewed by 83 | Submission Open

Keywords: electrochemistry; chemical reactions; removal; environmental pollution

(This special issue belongs to the Section Physical Chemistry and Chemical Physics)

Recent Progress in Synthesis, Properties, and Applications of Polyoxometalates and Their Nanocrystals

edited by

Xiang Ma

and

Pengtao Ma

submission deadline 31 Aug 2025 | Viewed by 196 | Submission Open

Keywords: polyoxometalates; POMs; metal cluster compound; inorganic chemistry; nanocrystals

(This special issue belongs to the Section Physical Chemistry and Chemical Physics)

Advances in Ferrocene-Based Molecular Research: Synthesis, Properties, and Applications

edited by

Mojca Čakić Semenčić

submission deadline 31 Aug 2025 | Viewed by 176 | Submission Open

Keywords: ferrocene; organometallic chemistry; bioorganometallic chemistry; ferrocene derivatives; synthesis; applications; bioconjugates

(This special issue belongs to the Section Physical Chemistry and Chemical Physics)

Noncovalent Interactions and Applications in Materials and Catalysis

edited by Snežana D. Zarić

submission deadline 20 Sep 2025 | 4 articles | Viewed by 5772 | Submission Open

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)

Electrochemistry: Molecular Advances and Challenges

edited by

Miguel A. Esteso

submission deadline 20 Sep 2025 | 1 articles | Viewed by 1706 | 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)

Chemistry Triggered by Low-Energy Particles

edited by Hassan Abdoul-Carime

submission deadline 20 Sep 2025 | 2 articles | Viewed by 1429 | Submission Open

Keywords: low energy (< 50 eV); photons; electrons; ions; gas phase; single molecules; clusters; condensed phase liquids and films; experimental techniques; density functional theory; IA-based prediction models

(This special issue belongs to the Section Physical Chemistry and Chemical Physics)

Attosecond Science: Toward Applications in Biology, Chemistry and Medicine

edited by

Predrag Ranitovic

submission deadline 20 Sep 2025 | Viewed by 271 | 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)

Computational Studies of Ionic Liquids and Their Analogues

edited by

Iuliia Voroshylova

and Elisabete Ferreira

submission deadline 30 Sep 2025 | Viewed by 263 | Submission Open

Keywords: ionic liquids; deep eutectic solvents; molecular dynamics; density functional theory; COSMO-RC; machine learning; ab initio

(This special issue belongs to the Section Physical Chemistry and Chemical Physics)

Molecular-Scale Design, Synthesis, and Applications of (Photo)Electrochemical Materials for Sustainable Energy and Environmental Solutions

edited by

Shiwei Lin

and

Zhaohui Xiao

submission deadline 30 Sep 2025 | Viewed by 92 | Submission Open

Keywords: molecular-scale material engineering; photoelectrocatalysis/electrocatalysis; sustainable energy conversion; atomic-precision synthesis; environmental remediation technologies

(This special issue belongs to the Section Physical Chemistry and Chemical Physics)

Surfactant Sciences: Design, Synthesis, and Applications

edited by Zakaria Hafidi

submission deadline 30 Sep 2025 | Viewed by 76 | Submission Open

Keywords: surfactants; synthesis; biodegradation; catalysis; biological activity; nanoparticles; design; green chemistry; self-assembly; surface chemistry

(This special issue belongs to the Section Physical Chemistry and Chemical Physics)

Advancements in Metal-Organic Frameworks: Synthesis, Properties, and Applications

edited by

Maria Milanova

submission deadline 30 Sep 2025 | Viewed by 68 | Submission Open

Keywords: metal– organic frameworks; hybrid materials; powder X-ray diffraction; single-crystal diffraction; synthesis approach; gas separation; adsorbents; sensors; catalysts; separation; magnetism; LEDs

(This special issue belongs to the Section Physical Chemistry and Chemical Physics)

Exploring Molecular Advances in Contaminant Removal

edited by Dexin Liu

submission deadline 30 Sep 2025 | Viewed by 46 | Submission Open

Keywords: removing pollutants; novel adsorbents; catalyst molecules; environmental science and technology

(This special issue belongs to the Section Physical Chemistry and Chemical Physics)

Recent Advances in Photocatalysis: An Innovation in Catalysis

edited by

Andreea L. Chibac-Scutaru

submission deadline 20 Oct 2025 | 2 articles | Viewed by 4035 | 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)

Molecular Applications of Technologies and Techniques for the Extraction of Simple Molecules and Compounds

edited by

Kiril Gavazov

submission deadline 20 Oct 2025 | 4 articles | Viewed by 2626 | 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)

New Processes and Applications of Plasma in Liquids

edited by

Ricardo Molina

submission deadline 20 Oct 2025 | 1 articles | Viewed by 1847 | 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)

Latest Review Papers in Physical Chemistry and Chemical Physics 2024

edited by

Victor Borovkov

submission deadline 20 Oct 2025 | 1 articles | Viewed by 1388 | 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)

Recent Molecular Research on Photocatalytic Applications

edited by Hassan Ait Ahsaine

submission deadline 30 Oct 2025 | Viewed by 45 | Submission Open

Keywords: photocatalysis; photocatalytic degradation; molecular catalysts; photocatalysts; functional materials

(This special issue belongs to the Section Physical Chemistry and Chemical Physics)

Quantum Chemical Intelligence: New Horizons of Molecular Structure and Reactivity

edited by

Mihai V. Putz

submission deadline 31 Oct 2025 | Viewed by 59 | Submission Open

Keywords: chemical bond and bonding; quantum states and measurements; chemical reactivity; valence models; complex coordination; reaction coordinates and paths; bio-nano-materials

(This special issue belongs to the Section Physical Chemistry and Chemical Physics)

FTIR Miscrospectroscopy: Opportunities and Challenges

edited by Simona Sabbatini

submission deadline 20 Nov 2025 | 2 articles | Viewed by 4192 | Submission Open

(This special issue belongs to the Section Physical Chemistry and Chemical Physics)

Thermodynamic and Spectral Studies of Complexes

edited by Michał Zabiszak

submission deadline 20 Nov 2025 | 2 articles | Viewed by 1082 | Submission Open

Keywords: spectroscopic techniques; molecular interaction; electronic spectroscopy; solid state chemistry; applications of complex compounds; reaction mechanism; catalytic activity

(This special issue belongs to the Section Physical Chemistry and Chemical Physics)

New Advances of Free-Radical Reactions in Organic Chemistry

edited by

José Justicia

submission deadline 20 Nov 2025 | 1 articles | Viewed by 789 | Submission Open

Keywords: free-radical reactions; organic chemistry; organic synthesis; fotoredox reactions; organometallics reactions; computational calculations; free radicals in biology; free radicals in green chemistry

(This special issue belongs to the Section Physical Chemistry and Chemical Physics)

Life’s Thermodynamics: Cells and Evolution

edited by

Alberto Schiraldi

submission deadline 20 Nov 2025 | 1 articles | Viewed by 582 | Submission Open

Keywords: cell growth and decay; cell aging; system biology; mathematical modeling; ecological modeling; dissipative adaptation; maximum power principle; evolution of microbial fitness; energy balance in microbial cultures

(This special issue belongs to the Section Physical Chemistry and Chemical Physics)

Molecular Mechanisms and Performances of Photocatalysis

edited by

Shaojun Yuan

submission deadline 20 Nov 2025 | Viewed by 258 | Submission Open

Keywords: photocatalytic materials; photocatalysis; energy conversion; environmental remediation; carbon dioxide reduction; organic synthesis

(This special issue belongs to the Section Physical Chemistry and Chemical Physics)

Latest Progress of Photocatalysts

edited by María J. Cabrera‐Afonso

submission deadline 20 Nov 2025 | Viewed by 134 | Submission Open

Keywords: metallaphotoredox; visible-light; photoredox; radicals; cross-coupling; bifunctional catalyst

(This special issue belongs to the Section Physical Chemistry and Chemical Physics)

Structural, Optical and Electrical Properties of Metal Complexes

edited by

Jana Pisk

and

Luka Pavic

submission deadline 30 Nov 2025 | Viewed by 41 | Submission Open

Keywords: metal complexes; transition metal (TM) complexes; TM-based materials; ligand field; electronic configuration; optical properties; density functional theory; time-dependent DFT; structure– property– function relationships

(This special issue belongs to the Section Physical Chemistry and Chemical Physics)

Monovalent Ion-Exchange Membranes for Various Applications

edited by Noor ul Afsar

submission deadline 30 Nov 2025 | Viewed by 25 | Submission Open

Keywords: molecular design; ion-exchange membranes; membrane-based separations; energy and resource recovery

(This special issue belongs to the Section Physical Chemistry and Chemical Physics)

Recent Advances in Organic Chemistry: Molecule Synthesis and Reactions (2nd Edition)

edited by

José Justicia

and

Rachid Chahboun

submission deadline 20 Dec 2025 | 2 articles | Viewed by 1549 | 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)

The Emerging Role of Quantum Sciences and Radiation Biology in Biomedical Applications, 2nd Edition

edited by

Livio Giuliani

Pierre Madl

and

Nikolaj Sorgenfrei Blom

submission deadline 30 Dec 2025 | 1 articles | Viewed by 1165 | Submission Open

Keywords: quantum sciences; radiation biology; biomedical applications

(This special issue belongs to the Section Physical Chemistry and Chemical Physics)

Coordination Complexes: From Molecular Design to Functional Applications

edited by

Sanaa Musa

submission deadline 31 Dec 2025 | 2 articles | Viewed by 5533 | Submission Open

Keywords: coordination complexes; organometallic complexes; functional materials; metal– ligand interactions; homogenous catalysis; sensing; magnetic materials; ligand tunability

(This special issue belongs to the Section Physical Chemistry and Chemical Physics)

Ion and Molecule Transport in Membrane Systems, 6th Edition

edited by

Victor V. Nikonenko

and

Dmitrii Butylskii

submission deadline 31 Dec 2025 | 1 articles | Viewed by 383 | Submission Open

Keywords: ion and molecular transport; physical chemistry; chemical physics; transport mechanisms; living systems; biological and artificial membranes; biomimetic structure; structure– property relationships; thermodynamics; irreversible thermodynamics; equilibriums; kinetics

(This special issue belongs to the Section Physical Chemistry and Chemical Physics)

Emerging Trends of Quantum Mechanics, Computational Chemistry, and Spectroscopy in Physical Chemistry

edited by

Dongho Kim

submission deadline 31 Dec 2025 | Viewed by 362 | Submission Open

Keywords: quantum theory; computational chemistry; spectroscopy

(This special issue belongs to the Section Physical Chemistry and Chemical Physics)

State-of-the-Art Electrochemical Reaction Technologies

edited by

Cornelia Bandas

and

Carmen Lǎzǎu

submission deadline 31 Dec 2025 | Viewed by 44 | Submission Open

Keywords: energy storage; electrochemical sensors; electrocatalysis; supercapacitors; molecular electrochemistry

(This special issue belongs to the Section Physical Chemistry and Chemical Physics)

Molecular and Electrochemical Mechanisms of Metal Corrosion

edited by

Mehrdad Faraji

submission deadline 31 Dec 2025 | Viewed by 33 | Submission Open

Keywords: metal corrosion; molecular mechanisms; electrochemistry; surface chemistry; corrosion inhibitors; passivation

(This special issue belongs to the Section Physical Chemistry and Chemical Physics)

Exploring New Field in Hydrocolloids Research and Applications

edited by

Mihaela Violeta Ghica

, Cristina Elena Dinu-Pirvu and

Lacramioara Popa

submission deadline 20 Jan 2026 | 1 articles | Viewed by 1704 | 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)

Single-Atom Catalysts for Small Molecule Transformation

edited by Aijuan Han

submission deadline 20 Jan 2026 | Viewed by 240 | Submission Open

Keywords: single-atom catalyst; small molecule transformation; rational design; applications

(This special issue belongs to the Section Physical Chemistry and Chemical Physics)

Density Functional Theory and Its Application in Atomic Collision Models

edited by

Feng Wang

submission deadline 20 Jan 2026 | Viewed by 174 | Submission Open

Keywords: density functional theory; time-dependent density functional theory; finite-temperature density functional theory; ensemble density functional theory; atom collision models; electron stopping power

(This special issue belongs to the Section Physical Chemistry and Chemical Physics)

Coordination Chemistry: From Fundamental Principles to Multifunctional Applications

edited by

Kiril B. Gavazov

submission deadline 31 Jan 2026 | Viewed by 53 | Submission Open

Keywords: coordination compounds; metal– ligand interactions; ligand design and synthesis; spectroscopic characterization; coordination geometry; molecular architecture; ion-association complexes; supramolecular chemistry; catalysis and activation mechanisms; functional materials; metal– organic frameworks; magnetism in coordination compounds; redox-active complexes; environmental and green chemistry applications; sensors and molecular devices; bioinorganic chemistry; medicinal coordination chemistry; theoretical and computational coordination chemistry

(This special issue belongs to the Section Physical Chemistry and Chemical Physics)

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