ChemPhysChem

Article	Citations
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Front Cover: An Algebraic Blueprint for Predicting Turnover Numbers and Endpoints in Photocatalysis (ChemPhysChem 3/2024)	61
Electronic and Nonlinear Optical Properties of B(III)‐Submonoazaporphyrin‐π‐Diimide Compounds: A Density Functional Theory Study	61
Adducing Knowledge Capabilities of Instrumental Techniques Through the Exploration of Heterostructures’ Modification Methods	43
Branching‐Chain Propagation of Parahydrogen‐Derived Nuclear Spin Order on a Catalyst Surface	33
The Hunter Falls Prey: Photoinduced Oxidation of C60 in Inclusion Complex with Perfluorocycloparaphenylene	31
Nonadiabatic Photodynamics of Amantadine and 1‐Cyanoadamantane Cations	31
The Bond Energy of the Carbon Skeleton in Polyaromatic Halohydrocarbon Molecules	31
N, S Co‐Doped Carbon Nanotubes Loaded With Cu Nanoclusters For Efficient Oxygen Reduction Reaction	30
Revisiting Numerical Solutions of Weakly Bound Noble Gases’ Vibrational Energy Levels Modeled by the Improved Lennard‐Jones Potential	29
Nitrogen and Sulfur Doped Porous Carbon Sheet with Trace Amount of Iron as Efficient Polysulfide Conversion Catalyst for High Loading Lithium‐Sulfur Batteries	27
Nanobubbles in Ultrapure Water Can Self‐Propel	27
Elaborating the Fluorescence Regulation and Quenching Mechanism of Sulfur‐for‐Oxygen Replacement for Fluorophores	27
Assignment of a Physical Energy Scale for the Dimensionless Interaction Energies within the PRIME20 Peptide Model	27
Front Cover: Binding Energy Partition of Promising IRAK‐4 Inhibitor (Zimlovisertib) for the Treatment of COVID‐19 Pneumonia (ChemPhysChem 24/2022)	26
Carbon Dioxide Reduction on Transition Metal Dichalcogenides with Ni and Cu Edge Doping: A Density‐Functional Theory Study	26
Cover Feature: Optical Physical Mechanisms of Helicene Carbon Nanohoop with Möbius Topology (ChemPhysChem 8/2023)	23
Revisiting the TCNQF40/1−/2− Catalysis Mechanism for the [Fe(CN)6]3−/4−‐S2O32−/S4O62− Redo	23
Substituent Effect of Superhalogens on the Metallodrug IMeAuCl: A DFT Study	23
Homogeneous Dephasing in Photosynthetic Bacterial Reaction Centers: Time Correlation Function Approach	22
Front Cover: Transitions of Collective Motions Driven by Phase Resetting (ChemPhysChem 12/2023)	21
Cover Feature: Overcoming Challenges in Density Functional Theory‐Based Calculations of Hyperfine Coupling Constants for Heavy Heteroatom Radicals (ChemPhysChem 10/2025)	20
The Steady‐State ALTADENA RASER Generates Continuous NMR Signals	20

A nuclear configuration interaction approach to study nuclear spin effects: an application to ortho‐ and para‐3He2@C60	20
Thermal Isomerization Rates of New Azoquinoline‐Functionalized Copolymers as a Function of Substitution Patterns	20
Front Cover: Dissociation of N2 on a Si(111)‐7x7 Surface at Room Temperature (ChemPhysChem 15/2023)	20
Cover Feature: Rare Spin Avoided σ‐σ Diradical Planar Tetracoordinate Boron Cluster: A Proto‐Star for Planar Pentacoordination (ChemPhysChem 18/2023)	19
Mechanistic Insights into the Selectivity of Norcarane Oxidation by Oxo‐Manganese(V) Porphyrin Complexes	19
The Effect of Fluorinated Solvents on the Physicochemical Properties, Ionic Association, and Free Volume of a Prototypical Solvate Ionic Liquid	19
Voltammetric Behaviour of LMO at the Nanoscale: A Map of Reversibility and Diffusional Limitations	19
An Algebraic Blueprint for Predicting Turnover Numbers and Endpoints in Photocatalysis	19
Cover Feature: Background‐Free Detection of Spin‐Exchange Dynamics at Ultra‐Low Magnetic Field (ChemPhysChem 19/2023)	19
Improved Conductivity and in Situ Formed Heterojunction via Zinc Doping in CuBi2O4 for Photoelectrochemical Water Splitting	19
Cover Feature: Increasing Complexity in Adamantyl Thioethers Characterized by Rotational Spectroscopy (ChemPhysChem 23/2023)	19
Comparison of Structural, Water‐Retaining and Sorption Properties of Acrylamide‐Based Hydrogels Cross‐Linked by Physical and Chemical Methods	18
Cover Feature: Deciphering Mg‐Surface Interactions with Unsaturated Hydrocarbons: An Integrated Experimental‐Theoretical Study (ChemPhysChem 7/2025)	18
On the Solvation Properties of Menthol‐Thymol Mixtures. A Molecular Dynamics Investigation	17
Computational Study of Carbon Dioxide Capture by Tertiary Amines	17
A Density Functional Benchmark for Dehydrogenation and Dehalogenation Reactions on Coinage Metal Surfaces	17
Coadsorption of ZnTPP and 2HMCTPP on Rutile TiO2(110)	17
Molecular Oxygen Trimer: Multiplet Structures and Stability	17
Converting Second‐Order Saddle Points to Transition States: New Principles for the Design of 4π Photoswitches	17
Cover Feature: Low‐boiling Point Perfluorocarbon Nanodroplets as Dual‐Phase Dual‐Modality MR/US Contrast Agent (ChemPhysChem 24/2022)	17
The Interaction of Ether‐Based Functionalized Ionic Liquids in Lithium–Sulfur Batteries: A First‐Principles Study	17
Dissociation of N2 on a Si(111)‐7x7 Surface at Room Temperature	16
Cover Feature: Energetics of Sulfur‐Carbon Interaction (ChemPhysChem 24/2022)	16
Accurate Geometry and Non‐Covalent Interactions in 1‐Phenylethanol and its Monohydrate: A Rotational Study	16
Elucidating the Mechanism of Simultaneous Activation of CH4 and CO2 Mediated by Single Group 10 Metal Anions in Gas Phase	16
Redox Properties and in Vivo Magnetic Resonance Imaging of Cyclodextrin‐Polynitroxides Contrast Agents	16
Cluster Amplitudes and Their Interplay with Self‐Consistency in Density Functional Methods	16
Scattering of NO Molecules from a Graphite Surface: Selectivity of the Rotational Excitation by Inelastic Collisions	15
Charge‐transfer Adducts vs Iodine(I) Complexes: Dual Role of Halogen Bonding in Reactions of Diiodine with N‐donor Bases	15
Combined Modelling of Triply Paired Electronic States of HO2+ ion with 3 Symmetry using Coupled Eigen Model	15
Studies of the Catalytic Activity of New Nickel(II) Compounds Containing Pyridine Carboxylic Acids Ligands in Oligomerization Processes of Selected Olefins and Cyclohexyl Isocyanide	15
High‐Performance Mo‐CoS2 Nanoplates Derived from Metal‐Organic Frameworks for Asymmetric Supercapacitor Applications	14
Adsorption of Carbamazepine in All‐Silica Zeolites Studied with Density Functional Theory Calculations**	14
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Prediction of M3B4‐type MBenes as Promising Catalysts for CO2 Capture and Reduction	14
Predicting a New Δ‐Proton Sponge‐Base of 4,12‐Dihydrogen‐4,8,12‐triazatriangulene through Proton Affinity, Aromatic Stabilization Energy, and Aromatic Magnetism	14
Efficient and Accurate Description of Diels‐Alder Reactions Using Density Functional Theory**	14
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Data‐Efficient Active Learning for Thermodynamic Integration: Acidity Constants of BiVO4 in Water	14
Energetic Ordering of Hydrogen Bond Strengths in Methanol‐Water Clusters: Insights via Molecular Tailoring Approach	14
Neuromorphic Liquids, Colloids, and Gels: A Review	14
Acetylation Rather than H50Q Mutation Impacts the Kinetics of Cu(II) Binding to α‐Synuclein	14
Aromaticity and Antiaromaticity Reversals between the Electronic Ground State and the Two Lowest Triplet States of Thiophene	13
Investigating Possible Dipole‐Bound States of Cyanopolyynes: the Case for the C5N− Anion Detected in Interstellar Space	13
Directly Bound Deuterons Increase X‐Nuclei Hyperpolarization using Dynamic Nuclear Polarization	13
Electron and Spin Delocalization in [Co6Se8(PEt3)6]0/+1 Superatoms	13
A Tug of War between the Self‐ and Cross‐associating Hydrogen Bonds in Neutral Ammonia‐Water Clusters: Energetic Insights by Molecular Tailoring Approach	13
Electronic Excitation Transfer Dynamics in a 3‐Site System Using an Incoherent Born‐Markov Rate Model	13
Does Chiral Sensitivity of a Structure Depend on the Metal Core? Alkali Ion Complexes of Cyclo(Tyr‐Tyr)	13

Band Structure Engineering of Single Pt Atoms on Fe−TiO2 for Enhanced Photocatalytic Performance	13
Frustrated Lewis Pairs Based on Carbon⋅⋅⋅Carbon+Tetrel Bonds: A DFT Study	13
Using Energetic Information Quantities from Density Functional Theory to Simultaneously Identify Both Covalent and Noncovalent Interactions	13
6‐Endo‐dig versus 5‐exo‐dig: Exploring Radical Cyclization Preference with First‐, Second‐, and Third‐row Linkers using High‐level Quantum Chemical Methods	13
Composing NLO Chromophore as a Puzzle: Electrochemistry‐based Approach to Design and Effectiveness	13
Shrinking Devices: Shape‐Memory Polymer Fabrication of Micro‐and Nanostructured Electrodes	12
Front Cover: Length‐Dependent Collective Vibrational Dynamics in Alpha‐Helices (ChemPhysChem 12/2022)	12
Luminescence Mechanisms of Quaternary Zn−Ag−In−S Nanocrystals: ZnS:Ag, In or AgInS2:Zn?	12
Using Lateral Substitution to Control Conformational Preference and Phase Behaviour of Benzanilide‐based Liquid Crystal Dimers	12
Vibrational Features of Oxyamines: A Comparative Study of N,N‐Diethylhydroxylamine and N,N‐Diethylacetyloxyamine	12
The Effect of Pristine and Hydroxylated Oxide Surfaces on the Guaiacol HDO Process: A DFT Study	12
Deciphering the Role of Substitution in Transition‐Metal Phosphorous Trisulfide (100) Surface: A Highly Efficient and Durable Pt‐free ORR Electrocatalyst	12
Front Cover: Blueshift in Trifurcated Hydrogen Bonds: A Tradeoff between Tetrel Bonding and Steric Repulsion (ChemPhysChem 1/2024)	12
Simulation of Hydrogen Adsorption in Hierarchical Silicalite: Role of Electrostatics and Surface Chemistry	12
New Prediction Model of Surface and Interfacial Energies Based on COSMO‐UCE**	12
Mechanisms of Complete Dissociation of CO2 on Iron Clusters	12
Cover Feature: OH Radical‐Induced Oxidation in Nucleosides and Nucleotides Unraveled by Tandem Mass Spectrometry and Infrared Multiple Photon Dissociation Spectroscopy (ChemPhysChem 23/2023)	12
Cover Feature: A Magnetocaloric Glass from an Ionic‐Liquid Gadolinium Complex (ChemPhysChem 12/2022)	12
Possibilities and Limitations of Kinetic Studies in On‐Surface Synthesis by Real Time X‐ray Photoelectron Spectroscopy	12
Protonation Effects on the Benzoxazine Formation Pathways and Products Distribution	12
Molecular‐Level Insight into the Chlorofluorocarbons Adsorption by Defective Covalent Organic Polymers	12
Tricyclic 1,4‐Diphosphinines: Local vs. Global Aromaticity	11
Electrochemical NH‐Sulfoximidation with α‐Keto Acids	11
Concentration Effect, Structural Properties, and Driving Force on Aβ28 Dimerization with and without Zn2+ Cooperation: Learning from Replica Exchange Sampling**	11
Cover Feature: Activity‐Based Models to Predict Kinetics of Levulinic Acid Esterification (ChemPhysChem 4/2023)	11
Cover Feature: Controlling Chirogenic Effects in Porphyrin Based Supramolecular Systems: Theoretical Analysis Versus Experimental Observations (ChemPhysChem 11/2024)	11
Cover Feature: Rotation‐Inversion Isomerization of Tertiary Carbamates: Potential Energy Surface Analysis of Multi‐Paths Isomerization Using Boltzmann Statistics (ChemPhysChem 1/2023)	11
Acidity of Isomorphic Substituted Zeolites with B, Al and Ga Revisited	11
Vibrational Sum Frequency Generation Spectra of Water‐Vapor Interfaces Covered by Alcohols: Effects of Surface Coverage and Coupling between Oscillators	11
Catalytic NO Reduction by NO Pre‐Adsorbed RhCeO2NO−Clusters	11
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)	11
Photocatalytic Hydrogen Production Activity and Mechanism of New Nickel‐Based Sulfur Complexes in Aqueous Solution	11
Quantum Dynamics of O(3P)+HBr→OH+Br Reaction: Integral Cross Sections and Rate Constants and their Initial State Dependence	11
Near‐infrared Piezochromic Materials at High Pressure	11
Cover Feature: SiC Monolayers as Promising Substrates for the Development of Highly Stable Palladium Single Atom Catalysts: A Density Functional Theory Study (ChemPhysChem 9/2022)	11
Galvanostatic Fast Charging of Alkali‐Ion Battery Materials at the Single‐Particle Level: A Map‐Driven Diagnosis	11
Reaction Kinetics of the Benzylation of Adenine in DMSO: Regio‐Selectivity Guided by Entropy	11
Interfacial Coupling of Graphene with Nickel Nanoparticles for Water Splitting and Urea Oxidation: A Spectroelectrochemical Investigation	11
Light‐Induced Transformation of a Supramolecular Gel to a Stronger Covalent Polymeric Gel	11
Single Atom Sites in Ga‐Ni Supported Catalytically Active Liquid Metal Solutions (SCALMS) for Selective Ethylene Oligomerization	11
Linear and Two‐Dimensional Infrared Spectroscopy of the Multifunctional Vibrational Probe, 3‐(4‐Azidophenyl) Propiolonitrile. Deperturbing a Fermi Triad by Isotopic Substitution	11
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Broad‐Spectrum Diffusion Coefficient Measurements via Surface Plasmon Resonance: From Thermodynamics to Protein Conformational Disorders	10
Angle‐Dependent Raman Spectra of Crystal Polymorphs of GaO: A Computational Study	10
Cover Feature: In Silico Screening of CO2‐Dipeptide Interactions for Bioinspired Carbon Capture (ChemPhysChem 4/2025)	10
Cr2O3 Promoted In2O3 Catalysts for CO2 Hydrogenation to Methanol	10
Influence of Pt Alloying on the Fluorescence of Fully Inorganic, Colloidal Gold Nanoclusters	10
Photodetachment of Deprotonated R‐Mandelic Acid: The Role of Proton Delocalization on the Radical Stability	10
Bayesian Optimization for Efficient Prediction of Gas Uptake in Nanoporous Materials	10
Cover Feature: Temperature and Composition Dependent Optical Properties of CdSe/CdS Dot/Rod‐Based Aerogel Networks (ChemPhysChem 2/2022)	10
The Importance of Reaction Energy in Predicting Chemical Reaction Barriers with Machine Learning Models	10
Role of Solvent in Electron‐Phonon Relaxation Dynamics in Core‐Shell Au−SiO2 Nanoparticles	10
Rationalizing Aggregate Structures with Orbital Contributions to the Exchange‐Repulsion Energy**	10
Solvent Effects on the 1H‐NMR Chemical Shifts of Imidazolium‐Based Ionic Liquids	10
The Solute Polarization and Structural Effects on the Nonlinear Optical Response of Based Chromone Molecules	10
Volcano‐like Activity Trends in Au@Pd Catalysts: The Role of Pd Loading and Nanoparticle Size	10
Rotation‐Inversion Isomerization of Tertiary Carbamates: Potential Energy Surface Analysis of Multi‐Paths Isomerization Using Boltzmann Statistics	10
Retaining Hückel Aromaticity in the Triplet Excited State of Azobenzene	10
Extractive Mass Transfer of Zr(IV) into a Hydrophobic Ionic Liquid Medium Containing Diglycolamide Extractant: Solvent Extraction and Spectroscopic Analysis	10
Dissociative Adsorption of H2S on Li(110) Surface Using Density Functional Theory Calculations and Car‐Parrinello Molecular Dynamics Simulations	10
Theoretical Study on B‐doped FeN4 Catalyst for Potential‐Dependent Oxygen Reduction Reaction	10
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Cover Feature: Disentangling the Conformational Space and Structural Preferences of Tetrahydrofurfuryl Alcohol Using Rotational Spectroscopy and Computational Chemistry (ChemPhysChem 12/2024)	10
Going from Pt to PGM‐free Catalysts: Effects of Ink Compositions on PEM Water Electrolysis	10
Understanding the CO2 Activation and Hydrogenation Mechanism on MXene under Electrochemical Conditions	10
Role of Triplet States in the Photolysis of Proteogenic Amino Acids	10
Front Cover: Application of Exciton Coupling for Characterization of Nanographene Edge (ChemPhysChem 5/2024)	10
The Hydrogen Evolution Activity of BaZrS3, BaTiS3, and BaVS3 Chalcogenide Perovskites	10
The Reaction of o‐Benzyne with Vinylacetylene: An Unexplored Way to Produce Naphthalene	10
Synthesis and Mechanical Properties of sub 5‐μm PolyUiO‐66 Thin Films on Gold Surfaces	10
CO2 Capture, Separation and Reduction on Boron‐Doped MoS2, MoSe2 and Heterostructures with Different Doping Densities: A Theoretical Study	10
Theoretical Prediction of Enhanced Hydrogen Evolution Reaction Electrocatalysts Based on Tantalum Phosphide	9
Identifying Exchangeable Protons in a 1D NMR Spectrum by Spatially Selective Exchange‐Editing	9
Theoretical Rotational and Vibrational Spectral Data for the Hypermagnesium Oxide Species Mg2O and Mg2O+	9
On the Nature of the Out‐of‐Plane Distortions in Subporphyrins	9
Interpretable Machine Learning Models for Practical Antimonate Electrocatalyst Performance	9
PHRONESIS: A One‐Shot Approach for Sequential Assignment of Protein Resonances by Ultrafast MAS Solid‐State NMR Spectroscopy	9
Exploring the Effects of Ionic Defects on the Stability of CsPbI3 with a Deep Learning Potential	9
Tailored Porous Transport Layers for Optimal Oxygen Transport in Water Electrolyzers: Combined Stochastic Reconstruction and Lattice Boltzmann Method	9
The Rivalry between Intramolecular Tetrel Bonds and Intermolecular Hydrogen Bonds in (O−Si) Chelates of N‐Silylmethylamides and ‐ureas. A Theoretical Study	9

Time‐Dependent Hydrogen Bond Network Formation in Glycerol‐Based Deep Eutectic Solvents	9
Plasmon Mediated Electron Transfer and Temperature Dependent Electron‐Phonon Scattering in Gold Nanoparticles Embedded in Dielectric Films	9
Quantitative Descriptions of Dewar‐Chatt‐Duncanson Bonding Model: A Case Study of Zeise and Its Family Ions	9
Toward Rational Design of Mononuclear Nickel Complexes as Water Oxidation Catalysts Exploring the Ligand Effects on the Rate‐Determining Step	9
Interfacial Electronic Structure Engineering of NiCo2Se4 and NiTe2 Nanorods for Enhanced Hydrogen Evolution Reaction	9
Metallofullertube: From Tubular Endohedral Structures to Properties	9
The σ+π dual aromaticity of typical bi‐tetrazole ring molecule TKX‐50	9
Progress and Perspectives of Lithium Isotope Separation	9
Unraveling the Mechanism of Oxygen Electrocatalysis on Transition Metal‐Free Single‐Atom‐Doped Holey Graphyne	9
Photoelectron Photoion Coincidence Spectroscopy of Biradicals	9
Relativistic Density Functional NMR Tensors Analyzed with Spin‐free Localized Molecular Orbitals	9
Investigation of CO2 Orientational Dynamics through Simulated NMR Line Shapes**	9
Reaction Cycle of Operating Pump Protein Studied with Single‐Molecule Spectroscopy**	9
CORRIGENDUM: Molecular Oxygen Trimer: Multiplet Structures and Stability	9
Equiatomic binary phases of Copper‐Rare Earth Elements. An overview of monocuprides from first‐principles calculations	9
Cation‐lone Pair Interaction in Alkali/Alkaline Earth Metal Ion‐Heavier Borazine Analogue Complexes	9
Highly Efficient and Chemoselective Tandem Hydroformylation‐Hydrogenation of Alkenes to Alcohols over g‐CN Supported Bimetallic Rh and Co Nanoparticles Catalysts	9
Adsorption Structures, Vibrational Raman Spectra and Chemical Binding Properties of Thioglycolic Acid on Cu(111) Surfaces: A DFT Study	9
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Evidence for Anion‐Anion Interaction in Amino Acid Ionic Liquids Probed by Far‐Infrared Spectroscopy	9
Low‐Cost Periodic Calculations of Metal‐Organic Frameworks: A GFN1‐xTB Perspective	9
Computational Modeling: Up‐to‐Date Approaches and Cutting‐Edge Applications from Clusters, Nanostructures to Bulk Systems	9
Thermal Properties of MXenes and Relevant Applications	9
Structural, Magnetic, and Optical Properties of Sol–Gel Synthesized Fe‐Doped NiO Nanoparticles with Tunable Fluorescence Toward Acridine Orange	9
Controlling the Nature of Photoluminescence of Emissive Metal Nanoclusters	9
The Effect of Pulling and Twisting Forces on Chameleon Sequence Peptides**	8
Lutidyl Radical Photoelectron Spectra Reveal Additive Substituent Effects on Benzyl Derivatives’ Ionization Energy	8
Binding Energy Partition of Promising IRAK‐4 Inhibitor (Zimlovisertib) for the Treatment of COVID‐19 Pneumonia	8
Capturing the Polarization Response of Solvated Proteins under Constant Electric Fields in Molecular Dynamics Simulations	8
Theoretical Simulations of Kinetic Isotope Effects on Decarboxylation of 3‐Carboxybenzisoxazole	8
Prediction of the Phase Composition Profile of Three‐Compound Mixtures in Liquid‐Liquid Equilibrium: A Chemoinformatics Approach	8
Low‐Energy Elastic Scattering of Electrons from 2H‐Pyran and 4H‐Pyran with Time Delay Analysis of Resonances	8
Microkinetic Modelling of Electrochemical Oxygen Evolution Reaction on Ir(111)@N‐Graphene Surface	8
Cover Feature: Dynamics of Citrate Coordination on Gold Nanoparticles Under Low Specific Power Laser‐Induced Heating (ChemPhysChem 7/2023)	8
Phase Diagrams of Anthracene Derivatives in Pyridinium Ionic Liquids	8
Trianglimine‐Mediated Selective Sieving of Cis Isomer from the Mixture of Dihaloethenes: A Combined Molecular Dynamics and DFT Investigation	8
Greener Approach Towards Synthesis of Palladium‐Decorated Graphene Derivatives for Hydrogen Adsorption	8
Regulating Efficient and Selective Single‐atom Catalysts for Electrocatalytic CO2 Reduction	8
Simultaneous Ring‐Opening and Dehydrogenation of Diarylethene Induced by Tunneling Electrons	8
Photoinduced Anisotropy in Thin Films of Azobenzene‐Containing Liquid Crystalline Supramolecular Complexes of Various Polymer Architecture	8
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)	8
On the Catalytic Performance of (ZrO)n (n=1–4) Clusters for CO Oxidation: A DFT Study	8
Sustained Synthesis of Ultra‐Long Gold Wires via an Open Microfluidic System	8
Turning Trash to Treasure: The Influence of Carbon Waste Source on the Photothermal Behaviour of Plasmonic Titanium Carbide Interfaces	8
Porous Mn2+ Magnet with a Pt−Cl Framework: Correlation between Water Vapor Adsorption/Desorption and Slow Magnetic Relaxation	8
Order‐Unity 13C Nuclear Polarization of [1‐13C]Pyruvate in Seconds and the Interplay of Water and SABRE Enhancement	8
Frequency‐Selective Manipulations of Spins allow Effective and Robust Transfer of Spin Order from Parahydrogen to Heteronuclei in Weakly‐Coupled Spin Systems	8
Computational Energy Spectra of the H2O@C70 Endofullerene	8
Cover Feature: Catalytic Deactivation and Regeneration of Nickel Microparticles in a Home‐Built Microchannel‐Coupled Millireactor: Substrate Specificity and Multiphase Flow Dependency (ChemPhysChem 14	8
Cover Feature: Vibrationally Resolved Inner‐Shell Photoexcitation of the Molecular Anion C2− (ChemPhysChem 11/2023)	8
The Influence of Deuterium Isotope Effects on Structural Rearrangements, Ensemble Equilibria, and Hydrogen Bonding in Protic Ionic Liquids	8
Constructing Potential Energy Surface with Correlated Theory for Dipeptides Using Molecular Tailoring Approach	8
Post‐CCSD(T) Thermochemistry of Chlorine Fluorides as a Challenging Test Case for Evaluating Density Functional Theory and Composite Ab Initio Methods	8
High Sensitivity Stimulated Raman Scattering Microscopy with Electronic Resonance Enhancement	8
Organic Supercapacitors as the Next Generation Energy Storage Device: Emergence, Opportunity, and Challenges	8
Ab Initio Study of H‐Bond Dynamics in Three‐Component Crystals Comprising (DABCOH+)nPolycationic Chains	8
NMR Self‐Diffusion and Transverse Relaxation Time in Bitumen: The Effect of Aging	8
Exhaustive Conformational Search for Sialyl Cation Reveals Possibility of Remote Participation of Acyl Groups	8
Methyl Red Adsorption on Biochar Obtained by Physical Activation of Caraway Seeds with Carbon Dioxide	8
Concentration‐Gradient Structural LiFe0.5Mn0.5PO4/C Prepared via Co‐precipitation Reaction for Advanced Lithium‐Ion Batteries	8
Activity‐Based Models to Predict Kinetics of Levulinic Acid Esterification	7
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Cover Feature: Phosphide‐Based Electrocatalysts for Urea Electrolysis: Recent Trends and Progress (ChemPhysChem 8/2024)	7
Understanding the Mechanochemistry of Mechano‐Radicals in Self‐Growth Materials by Single‐Molecule Force Spectroscopy	7
Blueshift in Trifurcated Hydrogen Bonds: A Tradeoff between Tetrel Bonding and Steric Repulsion	7
Fracture Mechanism of Nanocomposite of Metal and Graphene with Defect Pores	7
Chromogenic Chemosensor for Simultaneous Detection of PO43− and CO32− Anions in Organo‐Aqueous Solutions: Application in Arduino Based Electronic Color Sens	7
Stoichiometric‐Ratio‐Controlled Fe and Ni Non‐Noble Metal Catalysts Supported on γ‐Al2O3 for Turquoise Hydrogen and Carbon Nanotubes Production	7
Unveiling Eco‐Friendly Reverse Micelle Systems: Dimethyl Carbonate as a Novel Biocompatible Solvent	7
Cover Feature: Comprehensive Theoretical View of the [Cu2O2] Side‐on‐Peroxo‐/Bis‐μ‐Oxo Equilibria (ChemPhysChem 14/2022)	7
Cover Feature: Self‐Consistent Convolutional Density Functional Approximations: Application to Adsorption at Metal Surfaces (ChemPhysChem 10/2024)	7
Designing Double Perovskites with Organic Dications for Enhancing Stability and Photoelectrical Performance	7
Understanding the Reactivity of Supported Late Transition Metals on a Bare Anatase (101) Surface: A Periodic Conceptual DFT Investigation	7
Prediction of Feasibility of Polaronic OER on (110) Surface of Rutile TiO2	7
Spherical Aromaticity of Tetrahedral Pnictogens Through Off‐Nucleus Isotropic Magnetic Shielding	7
Cover Feature: Production of Dihydrogen Using Ammonia Borane as Reagent and Pyrazole as Catalyst (ChemPhysChem 17/2023)	7
Cover Feature: Comparison of the Ability of N‐Bases to Engage in Noncovalent Bonds (ChemPhysChem 15/2023)	7
Front Cover: Synthesis of Multi‐Functional Graphene Monolayers via Bipolar Electrochemistry (ChemPhysChem 16/2024)	7
Embarking on a New Journey	7
Front Cover: Linear and Two‐Dimensional Infrared Spectroscopy of the Multifunctional Vibrational Probe, 3‐(4‐Azidophenyl) Propiolonitrile. Deperturbing a Fermi Triad by Isotopic Substitution (ChemPhys	7
Towards π‐wires on a semiconductor surface: Benzyne on Si(001)	7
In Silico Screening of CO2‐Dipeptide Interactions for Bioinspired Carbon Capture	7
DFT‐based Machine Learning for Ensemble Effect of Pd@Au Electrocatalysts on CO2 Reduction Reaction	7
Radial Behavior of Electrostatic Potentials of Atoms and Ions Revisited: Isotropy and Anisotropy	7
Characterizing the Behavior of Water Interacting with a Nano‐Pore Material: A Structural Investigation in Native Environment Using Magnetic Resonance Approaches	7
On the Unusual Global Aromaticity of Two Cyclopenta‐Ring‐Fused Oligo(m‐Phenylenes)	7
Simulations to Cover the Waterfront for Iron Oxide Catalysis	7
Front Cover: Adsorption of CO on α‐Al2O3(0001): A Combined Experimental and Computational Study (ChemPhysChem 10/2025)	7
Ag‐Doped Free‐Standing 2D TiO2 Sheets: Electronic, Optical, Magnetic, and Self‐Healing Behaviour	7
Foams‐To‐Films: A Facile Approach Towards Space‐Confined CVD Growth of MoS2	7
Heat Capacity Function, Enthalpy of Formation and Absolute Entropy of Mg(AlH4)2	7
Can Li Atoms Anchored on Boron‐ and Nitrogen‐Doped Graphene Catalyze Dinitrogen Molecules to Ammonia? A DFT Study	7
The Chemical Bond at the Bottom of the Periodic Table: The Case of the Heavy Astatine and the Super‐Heavy Tennessine	7
Relativistic Coupled‐Cluster Calculations of Spectroscopic Properties of Copernicium and Flerovium Monoxides	7
Self‐Organization of Lipid‐Porphyrin Conjugates at the Air/Water Interface	7