ChemPhysChem

Papers
(The TQCC of ChemPhysChem is 5. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2022-08-01 to 2026-08-01.)
ArticleCitations
The Bond Energy of the Carbon Skeleton in Polyaromatic Halohydrocarbon Molecules119
Cover Feature: Deciphering Mg‐Surface Interactions with Unsaturated Hydrocarbons: An Integrated Experimental‐Theoretical Study (ChemPhysChem 7/2025)109
Excited State Assignment and State‐Resolved Photoelectron Circular Dichroism in Chalcogen‐Substituted Fenchones89
Exploring the Reaction Mechanism of Methanol Steam Reforming on CuZn 3 O 3 Cluster: A Density Func69
The Steady‐State ALTADENA RASER Generates Continuous NMR Signals45
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An Algebraic Blueprint for Predicting Turnover Numbers and Endpoints in Photocatalysis40
Cover Feature: Increasing Complexity in Adamantyl Thioethers Characterized by Rotational Spectroscopy (ChemPhysChem 23/2023)39
Elucidating the Mechanism of Simultaneous Activation of CH4 and CO2 Mediated by Single Group 10 Metal Anions in Gas Phase37
Cover Feature: Energetics of Sulfur‐Carbon Interaction (ChemPhysChem 24/2022)37
Coadsorption of ZnTPP and 2HMCTPP on Rutile TiO2(110)35
Thermal Isomerization Rates of New Azoquinoline‐Functionalized Copolymers as a Function of Substitution Patterns34
Front Cover: An Algebraic Blueprint for Predicting Turnover Numbers and Endpoints in Photocatalysis (ChemPhysChem 3/2024)34
Substituent Effect of Superhalogens on the Metallodrug IMeAuCl: A DFT Study32
Cover Feature: Overcoming Challenges in Density Functional Theory‐Based Calculations of Hyperfine Coupling Constants for Heavy Heteroatom Radicals (ChemPhysChem 10/2025)31
Cover Feature: Rare Spin Avoided σ‐σ Diradical Planar Tetracoordinate Boron Cluster: A Proto‐Star for Planar Pentacoordination (ChemPhysChem 18/2023)31
Cover Feature: Background‐Free Detection of Spin‐Exchange Dynamics at Ultra‐Low Magnetic Field (ChemPhysChem 19/2023)30
Front Cover: Transitions of Collective Motions Driven by Phase Resetting (ChemPhysChem 12/2023)30
Homogeneous Dephasing in Photosynthetic Bacterial Reaction Centers: Time Correlation Function Approach30
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Nanobubbles in Ultrapure Water Can Self‐Propel26
Cluster Amplitudes and Their Interplay with Self‐Consistency in Density Functional Methods25
A nuclear configuration interaction approach to study nuclear spin effects: an application to ortho‐ and para‐3He2@C6025
Cover Feature: Low‐boiling Point Perfluorocarbon Nanodroplets as Dual‐Phase Dual‐Modality MR/US Contrast Agent (ChemPhysChem 24/2022)24
Dissociation of N2 on a Si(111)‐7x7 Surface at Room Temperature24
Revisiting the TCNQF40/1−/2− Catalysis Mechanism for the [Fe(CN)6]3−/4−‐S2O32−/S4O62− Redo24
Cover Feature: Optical Physical Mechanisms of Helicene Carbon Nanohoop with Möbius Topology (ChemPhysChem 8/2023)24
Front Cover: Binding Energy Partition of Promising IRAK‐4 Inhibitor (Zimlovisertib) for the Treatment of COVID‐19 Pneumonia (ChemPhysChem 24/2022)23
Front Cover: Dissociation of N2 on a Si(111)‐7x7 Surface at Room Temperature (ChemPhysChem 15/2023)23
Combined Modelling of Triply Paired Electronic States of HO2+ ion with 3 Symmetry using Coupled Eigen Model23
A Density Functional Benchmark for Dehydrogenation and Dehalogenation Reactions on Coinage Metal Surfaces22
Assignment of a Physical Energy Scale for the Dimensionless Interaction Energies within the PRIME20 Peptide Model22
Charge‐transfer Adducts vs Iodine(I) Complexes: Dual Role of Halogen Bonding in Reactions of Diiodine with N‐donor Bases22
N, S Co‐Doped Carbon Nanotubes Loaded With Cu Nanoclusters For Efficient Oxygen Reduction Reaction22
On the Solvation Properties of Menthol‐Thymol Mixtures. A Molecular Dynamics Investigation22
Adducing Knowledge Capabilities of Instrumental Techniques Through the Exploration of Heterostructures’ Modification Methods22
Electronic and Nonlinear Optical Properties of B(III)‐Submonoazaporphyrin‐π‐Diimide Compounds: A Density Functional Theory Study22
Studies of the Catalytic Activity of New Nickel(II) Compounds Containing Pyridine Carboxylic Acids Ligands in Oligomerization Processes of Selected Olefins and Cyclohexyl Isocyanide21
Accurate Geometry and Non‐Covalent Interactions in 1‐Phenylethanol and its Monohydrate: A Rotational Study21
Relationship between Phase Behavior and Conductivity of Imidazolium‐Based Ionic Liquids with Dicyanamide Anion21
High‐Performance Mo‐CoS2 Nanoplates Derived from Metal‐Organic Frameworks for Asymmetric Supercapacitor Applications21
Will Nontoxic High‐Performance Perovskite Photovoltaics Ever Be Possible?21
Branching‐Chain Propagation of Parahydrogen‐Derived Nuclear Spin Order on a Catalyst Surface20
Converting Second‐Order Saddle Points to Transition States: New Principles for the Design of 4π Photoswitches20
Nonadiabatic Photodynamics of Amantadine and 1‐Cyanoadamantane Cations20
Predicting a New Δ‐Proton Sponge‐Base of 4,12‐Dihydrogen‐4,8,12‐triazatriangulene through Proton Affinity, Aromatic Stabilization Energy, and Aromatic Magnetism20
Elaborating the Fluorescence Regulation and Quenching Mechanism of Sulfur‐for‐Oxygen Replacement for Fluorophores19
Data‐Efficient Active Learning for Thermodynamic Integration: Acidity Constants of BiVO4 in Water19
Carbon Dioxide Reduction on Transition Metal Dichalcogenides with Ni and Cu Edge Doping: A Density‐Functional Theory Study19
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Preferential Solvation by Trifluoroethanol Drives α ‐Helical Folding in the Disordered S2 Region of the Escargot Protein19
Adaptive Pruning for Increased Robustness and Reduced Computational Overhead in Gaussian Process Accelerated Saddle Point Searches18
Revisiting Numerical Solutions of Weakly Bound Noble Gases’ Vibrational Energy Levels Modeled by the Improved Lennard‐Jones Potential18
Revisiting CN Formation Mechanisms in Electron Collisions with Benzonitrile18
Resolving the Puzzling Observations in Trapping Dynamics of Polystyrene and Silica Microparticles Under Femtosecond Pulsed and Continuous‐Wave Excitations18
Scattering of NO Molecules from a Graphite Surface: Selectivity of the Rotational Excitation by Inelastic Collisions18
Probing Composition Effects on the Intrinsic Energetics of Proton Transfer in Binary (HCl) m (H 18
Theoretical Study on the H‐Atom Abstraction Reactions of Three Linear Pentanol Isomers + HȮ 2 Radical18
Innovative Sustainable Cellulose Pulp From Lygeum spartum and Recycled Paper: Development and Characterization18
Applications of Inorganic Hybrid Rare‐Earth Materials in Biological Diagnostics, X‐Ray Imaging, and Lighting Display18
Neuromorphic Liquids, Colloids, and Gels: A Review18
Planar Pentacoordinate Nitrogen with Activated N─N Bond17
Molecular Oxygen Trimer: Multiplet Structures and Stability17
The Interaction of Ether‐Based Functionalized Ionic Liquids in Lithium–Sulfur Batteries: A First‐Principles Study17
Comparison of Structural, Water‐Retaining and Sorption Properties of Acrylamide‐Based Hydrogels Cross‐Linked by Physical and Chemical Methods17
Adsorption of Carbamazepine in All‐Silica Zeolites Studied with Density Functional Theory Calculations**17
Optimization and Mechanistic Studies of the Electrochemical Dimerization of Primary Alkyl‐Bromides and Benzylic Chlorides Utilizing a Nickel(II)/Terpyridine Catalytic System17
Computational Study of Carbon Dioxide Capture by Tertiary Amines16
Prediction of M3B4‐type MBenes as Promising Catalysts for CO2 Capture and Reduction16
Bioinspired Hybrid Polymeric Microspheres with Fractionated Lignin: Advanced Sorbents for Tetracycline Removal from Aqueous Media16
Photocatalytic Hydrogen Production Activity and Mechanism of New Nickel‐Based Sulfur Complexes in Aqueous Solution16
Using Lateral Substitution to Control Conformational Preference and Phase Behaviour of Benzanilide‐based Liquid Crystal Dimers16
Nitrogen and Sulfur Doped Porous Carbon Sheet with Trace Amount of Iron as Efficient Polysulfide Conversion Catalyst for High Loading Lithium‐Sulfur Batteries16
Redox Properties and in Vivo Magnetic Resonance Imaging of Cyclodextrin‐Polynitroxides Contrast Agents16
Cover Feature: Adaptive Pruning for Increased Robustness and Reduced Computational Overhead in Gaussian Process Accelerated Saddle Point Searches (ChemPhysChem 4/2026)16
Tricyclic 1,4‐Diphosphinines: Local vs. Global Aromaticity16
Concentration Effect, Structural Properties, and Driving Force on Aβ28 Dimerization with and without Zn2+ Cooperation: Learning from Replica Exchange Sampling**16
Broad‐Spectrum Diffusion Coefficient Measurements via Surface Plasmon Resonance: From Thermodynamics to Protein Conformational Disorders16
Improved Conductivity and in Situ Formed Heterojunction via Zinc Doping in CuBi2O4 for Photoelectrochemical Water Splitting16
Vibrational Sum Frequency Generation Spectra of Water‐Vapor Interfaces Covered by Alcohols: Effects of Surface Coverage and Coupling between Oscillators16
When Dihedral Angles Mask Denticity in Molecular Conductance16
Light‐Induced Transformation of a Supramolecular Gel to a Stronger Covalent Polymeric Gel16
Possibilities and Limitations of Kinetic Studies in On‐Surface Synthesis by Real Time X‐ray Photoelectron Spectroscopy15
Directly Bound Deuterons Increase X‐Nuclei Hyperpolarization using Dynamic Nuclear Polarization15
3D‐Printed Fe‐Ni Porous Framework Structures for Efficient and Recyclable Degradation of Azo Dyes in Wastewater15
Going from Pt to PGM‐free Catalysts: Effects of Ink Compositions on PEM Water Electrolysis15
Galvanostatic Fast Charging of Alkali‐Ion Battery Materials at the Single‐Particle Level: A Map‐Driven Diagnosis15
Investigating Possible Dipole‐Bound States of Cyanopolyynes: the Case for the C5N Anion Detected in Interstellar Space15
Angle‐Dependent Raman Spectra of Crystal Polymorphs of GaO: A Computational Study15
Front Cover: Blueshift in Trifurcated Hydrogen Bonds: A Tradeoff between Tetrel Bonding and Steric Repulsion (ChemPhysChem 1/2024)15
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Cover Feature: Explicit Modelling of Spectral Bandshapes by a Mixed Quantum‐Classical Approach: Solvent Order and Temperature Effects in the Optical Spectra of Distyrylbenzene (ChemPhysChem 16/2024)14
Cover Feature: Activity‐Based Models to Predict Kinetics of Levulinic Acid Esterification (ChemPhysChem 4/2023)14
Cover Feature: Controlling Chirogenic Effects in Porphyrin Based Supramolecular Systems: Theoretical Analysis Versus Experimental Observations (ChemPhysChem 11/2024)14
Cover Feature: OH Radical‐Induced Oxidation in Nucleosides and Nucleotides Unraveled by Tandem Mass Spectrometry and Infrared Multiple Photon Dissociation Spectroscopy (ChemPhysChem 23/2023)14
The Importance of Reaction Energy in Predicting Chemical Reaction Barriers with Machine Learning Models13
Volcano‐like Activity Trends in Au@Pd Catalysts: The Role of Pd Loading and Nanoparticle Size13
Electron and Spin Delocalization in [Co6Se8(PEt3)6]0/+1 Superatoms13
Electronic Excitation Transfer Dynamics in a 3‐Site System Using an Incoherent Born‐Markov Rate Model13
New Prediction Model of Surface and Interfacial Energies Based on COSMO‐UCE**13
Does Chiral Sensitivity of a Structure Depend on the Metal Core? Alkali Ion Complexes of Cyclo(Tyr‐Tyr)13
Indirect Grafting of Alkyl Ammonium Ions onto Glassy Carbon and Coal Surface. Enhancing the Performance of Heterogeneous Asymmetric Membranes13
Luminescence Mechanisms of Quaternary Zn−Ag−In−S Nanocrystals: ZnS:Ag, In or AgInS2:Zn?13
Band Structure Engineering of Single Pt Atoms on Fe−TiO2 for Enhanced Photocatalytic Performance13
Molecular‐Level Insight into the Chlorofluorocarbons Adsorption by Defective Covalent Organic Polymers13
Near‐infrared Piezochromic Materials at High Pressure13
The Solute Polarization and Structural Effects on the Nonlinear Optical Response of Based Chromone Molecules13
Corrigendum: Protonation Effects on the Benzoxazine Formation Pathways and Products Distribution13
Catalytic NO Reduction by NO Pre‐Adsorbed RhCeO2NO Clusters13
Simulation of Hydrogen Adsorption in Hierarchical Silicalite: Role of Electrostatics and Surface Chemistry13
Rationalizing Aggregate Structures with Orbital Contributions to the Exchange‐Repulsion Energy**13
Cover Feature: Rotation‐Inversion Isomerization of Tertiary Carbamates: Potential Energy Surface Analysis of Multi‐Paths Isomerization Using Boltzmann Statistics (ChemPhysChem 1/2023)13
Shrinking Devices: Shape‐Memory Polymer Fabrication of Micro‐and Nanostructured Electrodes13
Aromaticity and Antiaromaticity Reversals between the Electronic Ground State and the Two Lowest Triplet States of Thiophene13
Reaction Kinetics of the Benzylation of Adenine in DMSO: Regio‐Selectivity Guided by Entropy13
Interfacial Coupling of Graphene with Nickel Nanoparticles for Water Splitting and Urea Oxidation: A Spectroelectrochemical Investigation13
6‐Endo‐dig versus 5‐exo‐dig: Exploring Radical Cyclization Preference with First‐, Second‐, and Third‐row Linkers using High‐level Quantum Chemical Methods13
Protonation Effects on the Benzoxazine Formation Pathways and Products Distribution12
Low‐Cost Periodic Calculations of Metal‐Organic Frameworks: A GFN1‐xTB Perspective12
Mechanisms of Complete Dissociation of CO2 on Iron Clusters12
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A Tug of War between the Self‐ and Cross‐associating Hydrogen Bonds in Neutral Ammonia‐Water Clusters: Energetic Insights by Molecular Tailoring Approach12
Understanding the CO2 Activation and Hydrogenation Mechanism on MXene under Electrochemical Conditions12
Using Energetic Information Quantities from Density Functional Theory to Simultaneously Identify Both Covalent and Noncovalent Interactions12
Hydrogels May Not Always Absorb Water: Strategies to Achieve Antiswelling and Negative Swelling12
Single Atom Sites in Ga‐Ni Supported Catalytically Active Liquid Metal Solutions (SCALMS) for Selective Ethylene Oligomerization12
Complexation of Hen Egg White Lysozyme With Bioactive Phenolic Acids: Molecular Insights Into the Binding Mechanisms and Inhibitory Effects Against Protein Aggregation12
Rational Design of Crown Ether‐Based Fluorescent Sensors for Group II Cations: Insights From Vibrational Spectroscopy and Computation12
Quantum Dynamics of O(3P)+HBr→OH+Br Reaction: Integral Cross Sections and Rate Constants and their Initial State Dependence12
Structure and Dynamics of Imidazolium in an Ionic Liquid‐PEGDA Iongel via IR, 2D‐IR, and NMR Spectroscopy12
Linear and Two‐Dimensional Infrared Spectroscopy of the Multifunctional Vibrational Probe, 3‐(4‐Azidophenyl) Propiolonitrile. Deperturbing a Fermi Triad by Isotopic Substitution12
Electrochemical NH‐Sulfoximidation with α‐Keto Acids12
The Illusion of Simplicity: The Dramatic Failure of Koopmans’ Theorem for Antioxidants in Solvents—The Ascorbic Acid Paradigm12
Solvent Effects on the 1H‐NMR Chemical Shifts of Imidazolium‐Based Ionic Liquids12
In Situ Surface‐Enhanced Raman Spectroscopy of CO 2 Reduction by Metal‐Organic Framework‐Derived Copper Electrode12
Quantitative Descriptions of Dewar‐Chatt‐Duncanson Bonding Model: A Case Study of Zeise and Its Family Ions12
Adsorption Removal of Selected Antibiotics From Water Using Carbon‐Mineral Composites12
Acidity of Isomorphic Substituted Zeolites with B, Al and Ga Revisited12
Nanoparticulate Co‐doped CuO/Multiwalled Carbon Nanotubes Composite for Dopamine12
Evaluation of Resorcinarene Trimer Methanesulfonate Aggregation in the Presence of Inorganic Salts and Biomolecules in Aqueous Solutions Using UV–vis Spectroscopy and Electrophoresis12
Vibrational Features of Oxyamines: A Comparative Study of N,N‐Diethylhydroxylamine and N,N‐Diethylacetyloxyamine12
Stacking, Twisting, and Doping Graphene/Molybdenene Bilayers12
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Low‐Energy Elastic Scattering of Electrons from 2H‐Pyran and 4H‐Pyran with Time Delay Analysis of Resonances11
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Bayesian Optimization for Efficient Prediction of Gas Uptake in Nanoporous Materials11
Interpretable Machine Learning Models for Practical Antimonate Electrocatalyst Performance11
Theoretical Prediction of Enhanced Hydrogen Evolution Reaction Electrocatalysts Based on Tantalum Phosphide11
The σ+π dual aromaticity of typical bi‐tetrazole ring molecule TKX‐5011
Cover Feature: Disentangling the Conformational Space and Structural Preferences of Tetrahydrofurfuryl Alcohol Using Rotational Spectroscopy and Computational Chemistry (ChemPhysChem 12/2024)11
Cover Feature: In Silico Screening of CO2‐Dipeptide Interactions for Bioinspired Carbon Capture (ChemPhysChem 4/2025)11
Theoretical Study on B‐doped FeN4 Catalyst for Potential‐Dependent Oxygen Reduction Reaction11
Metallofullertube: From Tubular Endohedral Structures to Properties11
Structural, Magnetic, and Optical Properties of Sol–Gel Synthesized Fe‐Doped NiO Nanoparticles with Tunable Fluorescence Toward Acridine Orange11
Rotation‐Inversion Isomerization of Tertiary Carbamates: Potential Energy Surface Analysis of Multi‐Paths Isomerization Using Boltzmann Statistics11
Adsorption Structures, Vibrational Raman Spectra and Chemical Binding Properties of Thioglycolic Acid on Cu(111) Surfaces: A DFT Study11
Theoretical Rotational and Vibrational Spectral Data for the Hypermagnesium Oxide Species Mg2O and Mg2O+11
Role of Triplet States in the Photolysis of Proteogenic Amino Acids11
The Rivalry between Intramolecular Tetrel Bonds and Intermolecular Hydrogen Bonds in (O−Si) Chelates of N‐Silylmethylamides and ‐ureas. A Theoretical Study11
Highly Efficient and Chemoselective Tandem Hydroformylation‐Hydrogenation of Alkenes to Alcohols over g‐CN Supported Bimetallic Rh and Co Nanoparticles Catalysts11
Evidence for Anion‐Anion Interaction in Amino Acid Ionic Liquids Probed by Far‐Infrared Spectroscopy11
Properties of Bisdiazo Compounds and Their Derived Carbenes via Density Functional Theory11
Front Cover: Application of Exciton Coupling for Characterization of Nanographene Edge (ChemPhysChem 5/2024)11
Photodetachment of Deprotonated R‐Mandelic Acid: The Role of Proton Delocalization on the Radical Stability11
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Charge Density and Magnetic Properties in Cobalt(II) Single‐Molecule Magnets: Impact of Ligand Substitution10
Equiatomic binary phases of Copper‐Rare Earth Elements. An overview of monocuprides from first‐principles calculations10
Interplay of Solvation Dynamics and Ion Transport in Concentrated LiFSA–Sulfone Electrolytes10
Photoelectron Photoion Coincidence Spectroscopy of Biradicals10
Extractive Mass Transfer of Zr(IV) into a Hydrophobic Ionic Liquid Medium Containing Diglycolamide Extractant: Solvent Extraction and Spectroscopic Analysis10
Trianglimine‐Mediated Selective Sieving of Cis Isomer from the Mixture of Dihaloethenes: A Combined Molecular Dynamics and DFT Investigation10
Toward Rational Design of Mononuclear Nickel Complexes as Water Oxidation Catalysts Exploring the Ligand Effects on the Rate‐Determining Step10
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Relativistic Density Functional NMR Tensors Analyzed with Spin‐free Localized Molecular Orbitals10
A Theoretical Study of Electron Attachment to Uracil and 5‐Halouracil10
Proline Ring‐Inversion Dynamics in Peptides Enable Cross‐Relaxation‐Based Dynamic Nuclear Polarization10
Cover Feature: Dynamics of Citrate Coordination on Gold Nanoparticles Under Low Specific Power Laser‐Induced Heating (ChemPhysChem 7/2023)10
Theoretical Simulations of Kinetic Isotope Effects on Decarboxylation of 3‐Carboxybenzisoxazole10
Interfacial Electronic Structure Engineering of NiCo2Se4 and NiTe2 Nanorods for Enhanced Hydrogen Evolution Reaction10
Cr2O3 Promoted In2O3 Catalysts for CO2 Hydrogenation to Methanol10
Alkali‐Metal‐Supported Be—X (X = C, N, and B) Quadruple Orbital Overlapping Interactions10
Cation‐lone Pair Interaction in Alkali/Alkaline Earth Metal Ion‐Heavier Borazine Analogue Complexes10
Microkinetic Modelling of Electrochemical Oxygen Evolution Reaction on Ir(111)@N‐Graphene Surface10
On the Nature of the Out‐of‐Plane Distortions in Subporphyrins10
On the Catalytic Performance of (ZrO)n (n=1–4) Clusters for CO Oxidation: A DFT Study10
Identifying Exchangeable Protons in a 1D NMR Spectrum by Spatially Selective Exchange‐Editing10
Organic Supercapacitors as the Next Generation Energy Storage Device: Emergence, Opportunity, and Challenges10
CORRIGENDUM: Molecular Oxygen Trimer: Multiplet Structures and Stability10
Coarsening of Quasi Two‐Dimensional Emulsions Formed by Islands in Free‐Standing Smectic Films10
Computational Energy Spectra of the H2O@C70 Endofullerene10
Strategies and Challenges of Utilizing Cation Effects in Membrane Electrode Assemblies for CO2 Reduction10
Unraveling the Mechanism of Oxygen Electrocatalysis on Transition Metal‐Free Single‐Atom‐Doped Holey Graphyne10
What Makes a Designer Solvent Efficient for Capturing Volatile Organic Compounds?—A Molecular Perspective10
An Automatic Pathway Searching Strategy in Enzyme Catalysis: A Case Study of Lm CpfC10
Computational Modeling: Up‐to‐Date Approaches and Cutting‐Edge Applications from Clusters, Nanostructures to Bulk Systems10
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The Hydrogen Evolution Activity of BaZrS 3 , BaTiS 3 , and BaVS 3 10
Efficient Proton Transport Within the Channels of an Ultra‐Stable Hydrogen‐Bonded Organic Framework10
Progress and Perspectives of Lithium Isotope Separation10
Tailored Porous Transport Layers for Optimal Oxygen Transport in Water Electrolyzers: Combined Stochastic Reconstruction and Lattice Boltzmann Method10
Controlling the Nature of Photoluminescence of Emissive Metal Nanoclusters10
Confinement Dynamics of Nanodroplets between Two Surfaces: Effects of Wettability and Electric Field10
Porous Mn2+ Magnet with a Pt−Cl Framework: Correlation between Water Vapor Adsorption/Desorption and Slow Magnetic Relaxation10
Approaching the Lower Temporal Limit of Laser‐Produced Plasma Sources for Table‐Top Soft X‐Ray NEXAFS Measurements9
Turning Trash to Treasure: The Influence of Carbon Waste Source on the Photothermal Behaviour of Plasmonic Titanium Carbide Interfaces9
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Lutidyl Radical Photoelectron Spectra Reveal Additive Substituent Effects on Benzyl Derivatives’ Ionization Energy9
Binding Energy Partition of Promising IRAK‐4 Inhibitor (Zimlovisertib) for the Treatment of COVID‐19 Pneumonia9
NMR Self‐Diffusion and Transverse Relaxation Time in Bitumen: The Effect of Aging9
Cover Feature: Catalytic Deactivation and Regeneration of Nickel Microparticles in a Home‐Built Microchannel‐Coupled Millireactor: Substrate Specificity and Multiphase Flow Dependency (ChemPhysChem 149
The Influence of Deuterium Isotope Effects on Structural Rearrangements, Ensemble Equilibria, and Hydrogen Bonding in Protic Ionic Liquids9
Greener Approach Towards Synthesis of Palladium‐Decorated Graphene Derivatives for Hydrogen Adsorption9
Electrocatalysis Informatics Driven Design of Formic Acid‐Producing Alloy Catalysts for CO 2 Electroreduction9
Hydrogen Peroxide‐Induced Overoxidation of Fe−N−C Catalysts: Implications for ORR Activity9
Mononuclear Molybdenum and Tungsten Phosphine Complexes for Catalytic Ammonia Synthesis: Development of the pentaPod Concept9
Phase Diagrams of Anthracene Derivatives in Pyridinium Ionic Liquids9
The Effect of Pulling and Twisting Forces on Chameleon Sequence Peptides**9
Sustained Synthesis of Ultra‐Long Gold Wires via an Open Microfluidic System9
Front Cover: Use of 5,10‐Disubstituted Dibenzoazaborines and Dibenzophosphaborines as Cyclic Supports of Frustrated Lewis Pairs for the Capture of CO2 (ChemPhysChem 18/2022)9
Cover Feature: Vibrationally Resolved Inner‐Shell Photoexcitation of the Molecular Anion C2 (ChemPhysChem 11/2023)9
Regulating Efficient and Selective Single‐atom Catalysts for Electrocatalytic CO2 Reduction9
Constructing Potential Energy Surface with Correlated Theory for Dipeptides Using Molecular Tailoring Approach9
Prediction of the Phase Composition Profile of Three‐Compound Mixtures in Liquid‐Liquid Equilibrium: A Chemoinformatics Approach9
Concentration‐Gradient Structural LiFe0.5Mn0.5PO4/C Prepared via Co‐precipitation Reaction for Advanced Lithium‐Ion Batteries9
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Cesium Phosphates as Electrolytes for Electrochemical Cells in Intermediate‐Temperature Fuel Cells and Electrolysis: A Review9
Adsorption of Isolated and Hydrated Linear Per‐ and Polyfluoroalkyl Substances on Clay Surfaces: A Periodic Density Functional Theory Study9
Optimizing Extended Tight‐Binding Methods for Metal‐Surface Interactions9
Investigating the Role of UiO‐68 Supported N‐Heterocyclic Carbene‐Based Metal‐Hydrides for CO Hydrogenation to Methanol9
Stress Effectively Enhances the Ferromagnetic Stability of Monolayer NiZr9
Electron interaction with DNA constituents in aqueous phase9
Recent Progress on CoP as Anodes for Metal–Ion Batteries9
Azo‐Cyanamide Bridged Dinuclear Iron Complexes Exhibiting no Electronic Coupling but Moderate Magnetic Coupling between the two Iron Centers9
Statistically Derived Proxy Potentials Accelerate Geometry Optimization of Crystal Structures9
On the Vapor Pressures, Phase Transitions, and Solid‐State Fluorescence of 2‐(2‐Hydroxyphenyl)benzoxazole and 2‐(2‐Hydroxyphenyl)benzothiazole9
Predicting 195Pt NMR Chemical Shifts in Water‐Soluble Inorganic/Organometallic Complexes with a Fast and Simple Protocol Combining Semiempirical Modeling and Machine Learning9
Photoinduced Anisotropy in Thin Films of Azobenzene‐Containing Liquid Crystalline Supramolecular Complexes of Various Polymer Architecture9
Low‐Viscosity Concentrated Lithium Chloride Solution with Unsymmetrical Ditopic Receptors in Organic Solvents9
Designing Advanced LiTiXY (X, Y = O, S, Se, and Te) via DFT Engineering: Chalcogen Substitution Incorporation9
Towards π‐wires on a semiconductor surface: Benzyne on Si(001)8
Activity‐Based Models to Predict Kinetics of Levulinic Acid Esterification8
The Inner Hydration in Surfactant/Cholesterol Vesicles Differs from the Outer One: A Spectroscopic Investigation8
In Silico Screening of CO2‐Dipeptide Interactions for Bioinspired Carbon Capture8
Embarking on a New Journey8
Editorial – “Special Collection: 30 Years of PIP” – Physicochemistry of Interfacial Phenomena8
Improving the Catalytic Performance of the Hydrogen Evolution Reaction of α‐MoB2 via Rational Doping by Transition Metal Elements8
Front Cover: Adsorption of CO on α‐Al2O3(0001): A Combined Experimental and Computational Study (ChemPhysChem 10/2025)8
Cover Feature: Production of Dihydrogen Using Ammonia Borane as Reagent and Pyrazole as Catalyst (ChemPhysChem 17/2023)8
Cover Feature: Phosphide‐Based Electrocatalysts for Urea Electrolysis: Recent Trends and Progress (ChemPhysChem 8/2024)8
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