International Journal of Molecular Sciences

Noncovalent Interactions and Applications in Materials and Catalysis

edited by Snežana D. Zarić

submission deadline 20 Sep 2025 | 4 articles | Viewed by 6472 | 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 | 2 articles | Viewed by 2059 | 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)

Computational Studies of Ionic Liquids and Their Analogues

edited by

Iuliia Voroshylova

and Elisabete Ferreira

submission deadline 30 Sep 2025 | Viewed by 334 | 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)

Surfactant Sciences: Design, Synthesis, and Applications

edited by Zakaria Hafidi

submission deadline 30 Sep 2025 | Viewed by 119 | 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)

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 118 | 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)

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

edited by

Maria Milanova

submission deadline 30 Sep 2025 | Viewed by 99 | 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 80 | 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 4705 | 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 | 5 articles | Viewed by 3701 | 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 | 2 articles | Viewed by 3193 | 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 1645 | 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 68 | 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 108 | 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 4554 | 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 | 3 articles | Viewed by 1702 | 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 1084 | 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 740 | 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 370 | 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 152 | 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 72 | 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 49 | 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 | 3 articles | Viewed by 2511 | 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 | 2 articles | Viewed by 2015 | 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 6229 | 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 | 4 articles | Viewed by 1557 | 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)

25th Anniversary of IJMS: Advances in Physical Chemistry and Chemical Physics

edited by

Mihai V. Putz

,

Hyotcherl Ihee

and

Carlos Miguel Costa

submission deadline 31 Dec 2025 | 2 articles | Viewed by 1177 | Submission Open

Keywords: molecular dynamics; quantum chemistry; spectroscopic techniques; supramolecular interactions; computational modeling; AI in chemistry

(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 500 | 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 106 | 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 87 | 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 1905 | 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 258 | 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 195 | 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)

Design, Synthesis and Applications of the Task-Specific Molecules

edited by

Ye Yuan

and

Yang Yang

submission deadline 30 Jan 2026 | 3 articles | Viewed by 3039 | 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)

Coordination Chemistry: From Fundamental Principles to Multifunctional Applications

edited by

Kiril B. Gavazov

submission deadline 31 Jan 2026 | Viewed by 125 | 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)

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

edited by

Dongho Kim

submission deadline 20 Feb 2026 | 5 articles | Viewed by 2591 | 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)

Developing Chiral Products: New Progression in Separation, Synthesis, and Application

edited by István Ilisz

submission deadline 20 Feb 2026 | 1 articles | Viewed by 1228 | 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)

Quantum Chemical Approaches for Investigating Reaction Mechanisms in Organic Chemistry

edited by

Robert O'Reilly

submission deadline 20 Feb 2026 | Viewed by 410 | Submission Open

Keywords: organic chemistry; biochemistry; density functional theory; coupled cluster theory; free radicals; reaction mechanisms; transition states

(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 20 Feb 2026 | Viewed by 218 | 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)

Electron or Ion Transport in Electrochemistry

edited by Simone Sanna

submission deadline 20 Feb 2026 | Viewed by 154 | 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)

Electrochemistry and Emerging Contaminants: Molecular Insights for Innovative Solutions

edited by

Miguel A. Esteso

submission deadline 20 Feb 2026 | Viewed by 121 | Submission Open

Keywords: electrochemistry; chemical reactions; removal; environmental pollution

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

AIEgens in Action: Design, Mechanisms, and Emerging Applications

edited by

Arkadiusz Matwijczuk

submission deadline 20 Feb 2026 | Viewed by 44 | Submission Open

Keywords: fluorescence effects; photophysical properties of small molecules; ion detection; molecular spectroscopy; various nanoparticle-based additives; fluorescent and phosphorescent phenomena in solvents; amorphous states; and crystals; quantum-mechanical calculations for molecular systems and compositions (DFT; TD-DFT); molecular aggregation influencing fluorescence and phosphorescence properties of tested systems

(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 25 Feb 2026 | 3 articles | Viewed by 2561 | 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)

Advances in the Design, Synthesis, and Characterization of Metal Complexes with Multifaceted Biological Activities

edited by

Luca Conti

submission deadline 25 Feb 2026 | Viewed by 13 | Submission Open

Keywords: metal complexes; molecular design; biological activity; structure– activity relationships; therapeutic applications

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

Experimental and Computational NMR Studies of Organophosphorus Compounds

edited by

Irina Rusakova

submission deadline 28 Feb 2026 | Viewed by 60 | Submission Open

Keywords: 31P NMR; NMR; organophosphorus compounds; transition-metal complexes with organophosphorus ligands; relativistic effects; solvent effects; quantum chemistry methods for NMR; chemical structure studies; chemistry of organophosphorus compounds

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

Heterogeneous Catalysis Towards a Sustainable Future: Energy Conversion and Green Synthesis

edited by Chen Wu and

Shaodong Zhou

submission deadline 28 Feb 2026 | Viewed by 32 | Submission Open

Keywords: heterogeneous catalysis; CO2 hydrogenation; CO2 electroreduction; water splitting; Fischer-Tropsch synthesis; oxidative coupling of methane; methane dry reforming; green synthesis; fine chemicals; sustainable energy; catalyst design; active site engineering; single-atom catalysts; metal– organic frameworks; zeolites; nanostructured catalysts; in situ and operando characterizations; photocatalysis; electrocatalysis; biomass valorization; reaction engineering; renewable feedstocks

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

Bridging Molecules and Reactions: Next-Generation Approaches for Advancing Electrocatalytic Efficiency

edited by

Abu Talha Aqueel Ahmed

submission deadline 28 Feb 2026 | Viewed by 24 | Submission Open

Keywords: electrochemical nanomaterials; energy storage and conversion; electrocatalysis and reaction mechanisms; photoelectrochemical water splitting; electrochemical energy storage devices; nanocomposites and functionalized materials; molecular-level electrocatalysis; electrocatalyst and photocatalysts; in-situ spectroscopy and atomistic modeling; hybrid molecular– nanostructured systems; sustainable and natural resource– derived materials; DFT related to reaction kinetics; AOP

(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 20 Mar 2026 | Viewed by 305 | Submission Open

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

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

Advanced Oxidation Processes and Biodegradation for Emerging Contaminants Treatment: 2nd Edition

edited by

Chengdu Qi

submission deadline 30 Mar 2026 | Viewed by 7 | 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)

Attosecond Science: Toward Applications in Biology, Chemistry and Medicine

edited by

Predrag Ranitovic

submission deadline 20 Apr 2026 | Viewed by 306 | 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)

Journal Menu

Journal Browser

Special Issues

Further Information

Guidelines

MDPI Initiatives

Follow MDPI