ChemPhysChem

Article	Citations
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Electronic and Nonlinear Optical Properties of B(III)‐Submonoazaporphyrin‐π‐Diimide Compounds: A Density Functional Theory Study	58
Front Cover: An Algebraic Blueprint for Predicting Turnover Numbers and Endpoints in Photocatalysis (ChemPhysChem 3/2024)	54
Energetic Ordering of Hydrogen Bond Strengths in Methanol‐Water Clusters: Insights via Molecular Tailoring Approach	43
Adducing Knowledge Capabilities of Instrumental Techniques Through the Exploration of Heterostructures’ Modification Methods	33
Branching‐Chain Propagation of Parahydrogen‐Derived Nuclear Spin Order on a Catalyst Surface	31
The Hunter Falls Prey: Photoinduced Oxidation of C60 in Inclusion Complex with Perfluorocycloparaphenylene	31
Efficient and Accurate Description of Diels‐Alder Reactions Using Density Functional Theory**	30
The Bond Energy of the Carbon Skeleton in Polyaromatic Halohydrocarbon Molecules	30
Neuromorphic Liquids, Colloids, and Gels: A Review	28
Nonadiabatic Photodynamics of Amantadine and 1‐Cyanoadamantane Cations	27
N, S Co‐Doped Carbon Nanotubes Loaded With Cu Nanoclusters For Efficient Oxygen Reduction Reaction	26
Elaborating the Fluorescence Regulation and Quenching Mechanism of Sulfur‐for‐Oxygen Replacement for Fluorophores	26
Nitrogen and Sulfur Doped Porous Carbon Sheet with Trace Amount of Iron as Efficient Polysulfide Conversion Catalyst for High Loading Lithium‐Sulfur Batteries	26
Revisiting Numerical Solutions of Weakly Bound Noble Gases’ Vibrational Energy Levels Modeled by the Improved Lennard‐Jones Potential	26
Nanobubbles in Ultrapure Water Can Self‐Propel	25
Predicting a New Δ‐Proton Sponge‐Base of 4,12‐Dihydrogen‐4,8,12‐triazatriangulene through Proton Affinity, Aromatic Stabilization Energy, and Aromatic Magnetism	24
Assignment of a Physical Energy Scale for the Dimensionless Interaction Energies within the PRIME20 Peptide Model	23
Front Cover: Binding Energy Partition of Promising IRAK‐4 Inhibitor (Zimlovisertib) for the Treatment of COVID‐19 Pneumonia (ChemPhysChem 24/2022)	22
Carbon Dioxide Reduction on Transition Metal Dichalcogenides with Ni and Cu Edge Doping: A Density‐Functional Theory Study	22
Cover Feature: Optical Physical Mechanisms of Helicene Carbon Nanohoop with Möbius Topology (ChemPhysChem 8/2023)	22
Substituent Effect of Superhalogens on the Metallodrug IMeAuCl: A DFT Study	21
Revisiting the TCNQF40/1−/2− Catalysis Mechanism for the [Fe(CN)6]3−/4−‐S2O32−/S4O62− Redo	20

Homogeneous Dephasing in Photosynthetic Bacterial Reaction Centers: Time Correlation Function Approach	20
Front Cover: Transitions of Collective Motions Driven by Phase Resetting (ChemPhysChem 12/2023)	19
A nuclear configuration interaction approach to study nuclear spin effects: an application to ortho‐ and para‐3He2@C60	19
Cover Feature: Background‐Free Detection of Spin‐Exchange Dynamics at Ultra‐Low Magnetic Field (ChemPhysChem 19/2023)	19
Thermal Isomerization Rates of New Azoquinoline‐Functionalized Copolymers as a Function of Substitution Patterns	19
Front Cover: Dissociation of N2 on a Si(111)‐7x7 Surface at Room Temperature (ChemPhysChem 15/2023)	19
Cover Feature: Overcoming Challenges in Density Functional Theory‐Based Calculations of Hyperfine Coupling Constants for Heavy Heteroatom Radicals (ChemPhysChem 10/2025)	19
The Steady‐State ALTADENA RASER Generates Continuous NMR Signals	19
Cover Feature: Rare Spin Avoided σ‐σ Diradical Planar Tetracoordinate Boron Cluster: A Proto‐Star for Planar Pentacoordination (ChemPhysChem 18/2023)	19
Voltammetric Behaviour of LMO at the Nanoscale: A Map of Reversibility and Diffusional Limitations	18
Mechanistic Insights into the Selectivity of Norcarane Oxidation by Oxo‐Manganese(V) Porphyrin Complexes	18
The Effect of Fluorinated Solvents on the Physicochemical Properties, Ionic Association, and Free Volume of a Prototypical Solvate Ionic Liquid	18
Cover Feature: Increasing Complexity in Adamantyl Thioethers Characterized by Rotational Spectroscopy (ChemPhysChem 23/2023)	18
Improved Conductivity and in Situ Formed Heterojunction via Zinc Doping in CuBi2O4 for Photoelectrochemical Water Splitting	18
Cover Feature: Deciphering Mg‐Surface Interactions with Unsaturated Hydrocarbons: An Integrated Experimental‐Theoretical Study (ChemPhysChem 7/2025)	17
An Algebraic Blueprint for Predicting Turnover Numbers and Endpoints in Photocatalysis	17
Studies of the Catalytic Activity of New Nickel(II) Compounds Containing Pyridine Carboxylic Acids Ligands in Oligomerization Processes of Selected Olefins and Cyclohexyl Isocyanide	17
Molecular Oxygen Trimer: Multiplet Structures and Stability	17
Comparison of Structural, Water‐Retaining and Sorption Properties of Acrylamide‐Based Hydrogels Cross‐Linked by Physical and Chemical Methods	17
Cover Feature: Low‐boiling Point Perfluorocarbon Nanodroplets as Dual‐Phase Dual‐Modality MR/US Contrast Agent (ChemPhysChem 24/2022)	16
Converting Second‐Order Saddle Points to Transition States: New Principles for the Design of 4π Photoswitches	16
Coadsorption of ZnTPP and 2HMCTPP on Rutile TiO2(110)	16
On the Solvation Properties of Menthol‐Thymol Mixtures. A Molecular Dynamics Investigation	16
Computational Study of Carbon Dioxide Capture by Tertiary Amines	16
Redox Properties and in Vivo Magnetic Resonance Imaging of Cyclodextrin‐Polynitroxides Contrast Agents	15
A Density Functional Benchmark for Dehydrogenation and Dehalogenation Reactions on Coinage Metal Surfaces	15
Cluster Amplitudes and Their Interplay with Self‐Consistency in Density Functional Methods	15
Adsorption of Carbamazepine in All‐Silica Zeolites Studied with Density Functional Theory Calculations**	15
The Interaction of Ether‐Based Functionalized Ionic Liquids in Lithium–Sulfur Batteries: A First‐Principles Study	15
Dissociation of N2 on a Si(111)‐7x7 Surface at Room Temperature	14
Data‐Efficient Active Learning for Thermodynamic Integration: Acidity Constants of BiVO4 in Water	14
Combined Modelling of Triply Paired Electronic States of HO2+ ion with 3 Symmetry using Coupled Eigen Model	14
Cover Feature: Energetics of Sulfur‐Carbon Interaction (ChemPhysChem 24/2022)	14
Accurate Geometry and Non‐Covalent Interactions in 1‐Phenylethanol and its Monohydrate: A Rotational Study	14
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High‐Performance Mo‐CoS2 Nanoplates Derived from Metal‐Organic Frameworks for Asymmetric Supercapacitor Applications	14
Elucidating the Mechanism of Simultaneous Activation of CH4 and CO2 Mediated by Single Group 10 Metal Anions in Gas Phase	14
Prediction of M3B4‐type MBenes as Promising Catalysts for CO2 Capture and Reduction	14
Charge‐transfer Adducts vs Iodine(I) Complexes: Dual Role of Halogen Bonding in Reactions of Diiodine with N‐donor Bases	14
Composing NLO Chromophore as a Puzzle: Electrochemistry‐based Approach to Design and Effectiveness	13
Acetylation Rather than H50Q Mutation Impacts the Kinetics of Cu(II) Binding to α‐Synuclein	13
Interacting Quantum Atoms Analysis of the Reaction Force: A Tool to Analyze Driving and Retarding Forces in Chemical Reactions	13
Impact of Multimeric Ferrocene‐containing Cyclodecapeptide Scaffold on Host‐Guest Interactions at a β‐Cyclodextrin Covered Surface	13
Noncovalent Axial I⋅⋅⋅Pt⋅⋅⋅I Interactions in Platinum(II) Complexes Strengthen in the Excited State	13
Volcano‐like Activity Trends in Au@Pd Catalysts: The Role of Pd Loading and Nanoparticle Size	13
Molecular‐Level Insight into the Chlorofluorocarbons Adsorption by Defective Covalent Organic Polymers	13
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Early Divergence in Misfolding Pathways of Amyloid‐Beta Peptides	13
Frustrated Lewis Pairs Based on Carbon⋅⋅⋅Carbon+Tetrel Bonds: A DFT Study	13

Possibilities and Limitations of Kinetic Studies in On‐Surface Synthesis by Real Time X‐ray Photoelectron Spectroscopy	13
Cover Feature: Controlling Chirogenic Effects in Porphyrin Based Supramolecular Systems: Theoretical Analysis Versus Experimental Observations (ChemPhysChem 11/2024)	12
Concentration Effect, Structural Properties, and Driving Force on Aβ28 Dimerization with and without Zn2+ Cooperation: Learning from Replica Exchange Sampling**	12
A Tug of War between the Self‐ and Cross‐associating Hydrogen Bonds in Neutral Ammonia‐Water Clusters: Energetic Insights by Molecular Tailoring Approach	12
Protonation Effects on the Benzoxazine Formation Pathways and Products Distribution	12
Catalytic NO Reduction by NO Pre‐Adsorbed RhCeO2NO−Clusters	12
Quantum Dynamics of O(3P)+HBr→OH+Br Reaction: Integral Cross Sections and Rate Constants and their Initial State Dependence	12
Tricyclic 1,4‐Diphosphinines: Local vs. Global Aromaticity	12
Band Structure Engineering of Single Pt Atoms on Fe−TiO2 for Enhanced Photocatalytic Performance	12
Galvanostatic Fast Charging of Alkali‐Ion Battery Materials at the Single‐Particle Level: A Map‐Driven Diagnosis	12
Reaction Kinetics of the Benzylation of Adenine in DMSO: Regio‐Selectivity Guided by Entropy	12
Luminescence Mechanisms of Quaternary Zn−Ag−In−S Nanocrystals: ZnS:Ag, In or AgInS2:Zn?	12
Simulation of Hydrogen Adsorption in Hierarchical Silicalite: Role of Electrostatics and Surface Chemistry	12
Vibrational Sum Frequency Generation Spectra of Water‐Vapor Interfaces Covered by Alcohols: Effects of Surface Coverage and Coupling between Oscillators	12
Does Chiral Sensitivity of a Structure Depend on the Metal Core? Alkali Ion Complexes of Cyclo(Tyr‐Tyr)	11
The Solute Polarization and Structural Effects on the Nonlinear Optical Response of Based Chromone Molecules	11
Linear and Two‐Dimensional Infrared Spectroscopy of the Multifunctional Vibrational Probe, 3‐(4‐Azidophenyl) Propiolonitrile. Deperturbing a Fermi Triad by Isotopic Substitution	11
Electrochemical NH‐Sulfoximidation with α‐Keto Acids	11
Near‐infrared Piezochromic Materials at High Pressure	11
Investigating Possible Dipole‐Bound States of Cyanopolyynes: the Case for the C5N− Anion Detected in Interstellar Space	11
Front Cover: Length‐Dependent Collective Vibrational Dynamics in Alpha‐Helices (ChemPhysChem 12/2022)	11
Acidity of Isomorphic Substituted Zeolites with B, Al and Ga Revisited	11
6‐Endo‐dig versus 5‐exo‐dig: Exploring Radical Cyclization Preference with First‐, Second‐, and Third‐row Linkers using High‐level Quantum Chemical Methods	11
Interfacial Coupling of Graphene with Nickel Nanoparticles for Water Splitting and Urea Oxidation: A Spectroelectrochemical Investigation	11
Cover Feature: Activity‐Based Models to Predict Kinetics of Levulinic Acid Esterification (ChemPhysChem 4/2023)	11
Light‐Induced Transformation of a Supramolecular Gel to a Stronger Covalent Polymeric Gel	11
Using Lateral Substitution to Control Conformational Preference and Phase Behaviour of Benzanilide‐based Liquid Crystal Dimers	11
New Prediction Model of Surface and Interfacial Energies Based on COSMO‐UCE**	11
Directly Bound Deuterons Increase X‐Nuclei Hyperpolarization using Dynamic Nuclear Polarization	11
Using Energetic Information Quantities from Density Functional Theory to Simultaneously Identify Both Covalent and Noncovalent Interactions	11
Vibrational Features of Oxyamines: A Comparative Study of N,N‐Diethylhydroxylamine and N,N‐Diethylacetyloxyamine	11
Mechanisms of Complete Dissociation of CO2 on Iron Clusters	11
Understanding the CO2 Activation and Hydrogenation Mechanism on MXene under Electrochemical Conditions	11
Angle‐Dependent Raman Spectra of Crystal Polymorphs of GaO: A Computational Study	11
Photocatalytic Hydrogen Production Activity and Mechanism of New Nickel‐Based Sulfur Complexes in Aqueous Solution	11
Single Atom Sites in Ga‐Ni Supported Catalytically Active Liquid Metal Solutions (SCALMS) for Selective Ethylene Oligomerization	11
Going from Pt to PGM‐free Catalysts: Effects of Ink Compositions on PEM Water Electrolysis	11
Cover Feature: Rotation‐Inversion Isomerization of Tertiary Carbamates: Potential Energy Surface Analysis of Multi‐Paths Isomerization Using Boltzmann Statistics (ChemPhysChem 1/2023)	11
Cover Feature: A Magnetocaloric Glass from an Ionic‐Liquid Gadolinium Complex (ChemPhysChem 12/2022)	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
Broad‐Spectrum Diffusion Coefficient Measurements via Surface Plasmon Resonance: From Thermodynamics to Protein Conformational Disorders	11
Progress and Perspectives of Lithium Isotope Separation	10
Evidence for Anion‐Anion Interaction in Amino Acid Ionic Liquids Probed by Far‐Infrared Spectroscopy	10
Low‐Energy Elastic Scattering of Electrons from 2H‐Pyran and 4H‐Pyran with Time Delay Analysis of Resonances	10
Aromaticity and Antiaromaticity Reversals between the Electronic Ground State and the Two Lowest Triplet States of Thiophene	10
Cover Feature: OH Radical‐Induced Oxidation in Nucleosides and Nucleotides Unraveled by Tandem Mass Spectrometry and Infrared Multiple Photon Dissociation Spectroscopy (ChemPhysChem 23/2023)	10
Solvent Effects on the 1H‐NMR Chemical Shifts of Imidazolium‐Based Ionic Liquids	10
The Effect of Pristine and Hydroxylated Oxide Surfaces on the Guaiacol HDO Process: A DFT Study	10
CO2 Capture, Separation and Reduction on Boron‐Doped MoS2, MoSe2 and Heterostructures with Different Doping Densities: A Theoretical Study	10
Cover Feature: Disentangling the Conformational Space and Structural Preferences of Tetrahydrofurfuryl Alcohol Using Rotational Spectroscopy and Computational Chemistry (ChemPhysChem 12/2024)	10
Theoretical Study on B‐doped FeN4 Catalyst for Potential‐Dependent Oxygen Reduction Reaction	10
Investigation of CO2 Orientational Dynamics through Simulated NMR Line Shapes**	10
The Importance of Reaction Energy in Predicting Chemical Reaction Barriers with Machine Learning Models	10
Front Cover: Blueshift in Trifurcated Hydrogen Bonds: A Tradeoff between Tetrel Bonding and Steric Repulsion (ChemPhysChem 1/2024)	10
Electronic Excitation Transfer Dynamics in a 3‐Site System Using an Incoherent Born‐Markov Rate Model	10
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)	10
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Role of Solvent in Electron‐Phonon Relaxation Dynamics in Core‐Shell Au−SiO2 Nanoparticles	10
Structural, Magnetic, and Optical Properties of Sol–Gel Synthesized Fe‐Doped NiO Nanoparticles with Tunable Fluorescence Toward Acridine Orange	10
Exploring the Effects of Ionic Defects on the Stability of CsPbI3 with a Deep Learning Potential	10
	10
Electron and Spin Delocalization in [Co6Se8(PEt3)6]0/+1 Superatoms	10
Rationalizing Aggregate Structures with Orbital Contributions to the Exchange‐Repulsion Energy**	10
Shrinking Devices: Shape‐Memory Polymer Fabrication of Micro‐and Nanostructured Electrodes	10
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Deciphering the Role of Substitution in Transition‐Metal Phosphorous Trisulfide (100) Surface: A Highly Efficient and Durable Pt‐free ORR Electrocatalyst	10
Photoelectron Photoion Coincidence Spectroscopy of Biradicals	10
Controlling the Nature of Photoluminescence of Emissive Metal Nanoclusters	9
Low‐Cost Periodic Calculations of Metal‐Organic Frameworks: A GFN1‐xTB Perspective	9
Theoretical Prediction of Enhanced Hydrogen Evolution Reaction Electrocatalysts Based on Tantalum Phosphide	9
Quantitative Descriptions of Dewar‐Chatt‐Duncanson Bonding Model: A Case Study of Zeise and Its Family Ions	9
Equiatomic binary phases of Copper‐Rare Earth Elements. An overview of monocuprides from first‐principles calculations	9
Front Cover: Application of Exciton Coupling for Characterization of Nanographene Edge (ChemPhysChem 5/2024)	9
CORRIGENDUM: Molecular Oxygen Trimer: Multiplet Structures and Stability	9
The Hydrogen Evolution Activity of BaZrS3, BaTiS3, and BaVS3 Chalcogenide Perovskites	9
Dissociative Adsorption of H2S on Li(110) Surface Using Density Functional Theory Calculations and Car‐Parrinello Molecular Dynamics Simulations	9
Synthesis and Mechanical Properties of sub 5‐μm PolyUiO‐66 Thin Films on Gold Surfaces	9
Cover Feature: In Silico Screening of CO2‐Dipeptide Interactions for Bioinspired Carbon Capture (ChemPhysChem 4/2025)	9
Rotation‐Inversion Isomerization of Tertiary Carbamates: Potential Energy Surface Analysis of Multi‐Paths Isomerization Using Boltzmann Statistics	9
Identifying Exchangeable Protons in a 1D NMR Spectrum by Spatially Selective Exchange‐Editing	9

Plasmon Mediated Electron Transfer and Temperature Dependent Electron‐Phonon Scattering in Gold Nanoparticles Embedded in Dielectric Films	9
Highly Efficient and Chemoselective Tandem Hydroformylation‐Hydrogenation of Alkenes to Alcohols over g‐CN Supported Bimetallic Rh and Co Nanoparticles Catalysts	9
On the Catalytic Performance of (ZrO)n (n=1–4) Clusters for CO Oxidation: A DFT Study	9
Relativistic Density Functional NMR Tensors Analyzed with Spin‐free Localized Molecular Orbitals	9
Influence of Pt Alloying on the Fluorescence of Fully Inorganic, Colloidal Gold Nanoclusters	9
Cover Feature: Temperature and Composition Dependent Optical Properties of CdSe/CdS Dot/Rod‐Based Aerogel Networks (ChemPhysChem 2/2022)	9
Time‐Dependent Hydrogen Bond Network Formation in Glycerol‐Based Deep Eutectic Solvents	9
Role of Triplet States in the Photolysis of Proteogenic Amino Acids	9
Computational Modeling: Up‐to‐Date Approaches and Cutting‐Edge Applications from Clusters, Nanostructures to Bulk Systems	9
Theoretical Rotational and Vibrational Spectral Data for the Hypermagnesium Oxide Species Mg2O and Mg2O+	9
Adsorption Structures, Vibrational Raman Spectra and Chemical Binding Properties of Thioglycolic Acid on Cu(111) Surfaces: A DFT Study	9
Reaction Cycle of Operating Pump Protein Studied with Single‐Molecule Spectroscopy**	9
Metallofullertube: From Tubular Endohedral Structures to Properties	9
Toward Rational Design of Mononuclear Nickel Complexes as Water Oxidation Catalysts Exploring the Ligand Effects on the Rate‐Determining Step	9
Photodetachment of Deprotonated R‐Mandelic Acid: The Role of Proton Delocalization on the Radical Stability	9
The Rivalry between Intramolecular Tetrel Bonds and Intermolecular Hydrogen Bonds in (O−Si) Chelates of N‐Silylmethylamides and ‐ureas. A Theoretical Study	9
Retaining Hückel Aromaticity in the Triplet Excited State of Azobenzene	9
Extractive Mass Transfer of Zr(IV) into a Hydrophobic Ionic Liquid Medium Containing Diglycolamide Extractant: Solvent Extraction and Spectroscopic Analysis	9
Bayesian Optimization for Efficient Prediction of Gas Uptake in Nanoporous Materials	9
Cr2O3 Promoted In2O3 Catalysts for CO2 Hydrogenation to Methanol	9
The Reaction of o‐Benzyne with Vinylacetylene: An Unexplored Way to Produce Naphthalene	9
Interfacial Electronic Structure Engineering of NiCo2Se4 and NiTe2 Nanorods for Enhanced Hydrogen Evolution Reaction	9
DFT Analysis of Methane C−H Activation and Over‐Oxidation by [Cu2O]2+ and [Cu2O2]2+ Sites in Zeolite Mordenite: Intra‐ versus Inter‐site Over‐Oxi	8
Organic Supercapacitors as the Next Generation Energy Storage Device: Emergence, Opportunity, and Challenges	8
Interpretable Machine Learning Models for Practical Antimonate Electrocatalyst Performance	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
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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
NMR Self‐Diffusion and Transverse Relaxation Time in Bitumen: The Effect of Aging	8
The Influence of Deuterium Isotope Effects on Structural Rearrangements, Ensemble Equilibria, and Hydrogen Bonding in Protic Ionic Liquids	8
Approaching the Lower Temporal Limit of Laser‐Produced Plasma Sources for Table‐Top Soft X‐Ray NEXAFS Measurements	8
Theoretical Simulations of Kinetic Isotope Effects on Decarboxylation of 3‐Carboxybenzisoxazole	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
Constructing Potential Energy Surface with Correlated Theory for Dipeptides Using Molecular Tailoring Approach	8
PHRONESIS: A One‐Shot Approach for Sequential Assignment of Protein Resonances by Ultrafast MAS Solid‐State NMR Spectroscopy	8
Tailored Porous Transport Layers for Optimal Oxygen Transport in Water Electrolyzers: Combined Stochastic Reconstruction and Lattice Boltzmann Method	8
Cation‐lone Pair Interaction in Alkali/Alkaline Earth Metal Ion‐Heavier Borazine Analogue Complexes	8
Sustained Synthesis of Ultra‐Long Gold Wires via an Open Microfluidic System	8
A Case Study on the Use of Binding Free Energies to Screen Inhibitors of Human Carbonic Anhydrase II	8
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
Cover Feature: Dynamics of Citrate Coordination on Gold Nanoparticles Under Low Specific Power Laser‐Induced Heating (ChemPhysChem 7/2023)	8
Prediction of the Phase Composition Profile of Three‐Compound Mixtures in Liquid‐Liquid Equilibrium: A Chemoinformatics Approach	8
Turning Trash to Treasure: The Influence of Carbon Waste Source on the Photothermal Behaviour of Plasmonic Titanium Carbide Interfaces	8
Ab Initio Study of H‐Bond Dynamics in Three‐Component Crystals Comprising (DABCOH+)nPolycationic Chains	8
Binding Energy Partition of Promising IRAK‐4 Inhibitor (Zimlovisertib) for the Treatment of COVID‐19 Pneumonia	8
Hydrogen Peroxide‐Induced Overoxidation of Fe−N−C Catalysts: Implications for ORR Activity	8
Microkinetic Modelling of Electrochemical Oxygen Evolution Reaction on Ir(111)@N‐Graphene Surface	8
Thermal Properties of MXenes and Relevant Applications	8
The σ+π dual aromaticity of typical bi‐tetrazole ring molecule TKX‐50	8
On the Nature of the Out‐of‐Plane Distortions in Subporphyrins	8
Capturing the Polarization Response of Solvated Proteins under Constant Electric Fields in Molecular Dynamics Simulations	8
Harmonic Scale Factors of Fundamental Transitions for Dispersion‐corrected Quantum Chemical Methods	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
Strategies and Challenges of Utilizing Cation Effects in Membrane Electrode Assemblies for CO2 Reduction	8
Porous Mn2+ Magnet with a Pt−Cl Framework: Correlation between Water Vapor Adsorption/Desorption and Slow Magnetic Relaxation	8
Predicting 195Pt NMR Chemical Shifts in Water‐Soluble Inorganic/Organometallic Complexes with a Fast and Simple Protocol Combining Semiempirical Modeling and Machine Learning	8
Photophysical and Photoelectrochemical Properties of CsPbBr3 Films Grown by Electrochemically Assisted Deposition	8
Photoinduced Anisotropy in Thin Films of Azobenzene‐Containing Liquid Crystalline Supramolecular Complexes of Various Polymer Architecture	8
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
Does Aromaticity Play a Role in Electronic and Structural Properties of YBn (n=2–14) Clusters?	7
Designing Double Perovskites with Organic Dications for Enhancing Stability and Photoelectrical Performance	7
Self‐Organization of Lipid‐Porphyrin Conjugates at the Air/Water Interface	7
Towards π‐wires on a semiconductor surface: Benzyne on Si(001)	7
Cover Feature: Phosphide‐Based Electrocatalysts for Urea Electrolysis: Recent Trends and Progress (ChemPhysChem 8/2024)	7
In Silico Screening of CO2‐Dipeptide Interactions for Bioinspired Carbon Capture	7
Cover Feature: Substituent Effects in π‐Hole Regium Bonding Interactions Between Au(p‐X‐Py)2 Complexes and Lewis Bases: An ab initio Study (ChemPhysChem 8/2022)	7
Prediction of Feasibility of Polaronic OER on (110) Surface of Rutile TiO2	7
Heteronuclear Trimetallic MFe2 and M2Fe (M=V, Nb, and Ta) Clusters for Dinitrogen Activation	7
Stoichiometric‐Ratio‐Controlled Fe and Ni Non‐Noble Metal Catalysts Supported on γ‐Al2O3 for Turquoise Hydrogen and Carbon Nanotubes Production	7
Understanding the Reactivity of Supported Late Transition Metals on a Bare Anatase (101) Surface: A Periodic Conceptual DFT Investigation	7
Corrosion Inhibition of Mild Steel by Coumarate‐Based Ionic Liquids and Coatings	7
Embarking on a New Journey	7
Comprehensive Study of Ti and Ta Co‐Doping in Ni‐Rich Cathode Material LiNi0.8Mn0.1Co0.1O2 Towards Improving the Electrochemical Performance	7
The Chemical Bond at the Bottom of the Periodic Table: The Case of the Heavy Astatine and the Super‐Heavy Tennessine	7
DFT‐based Machine Learning for Ensemble Effect of Pd@Au Electrocatalysts on CO2 Reduction Reaction	7
Relativistic Coupled‐Cluster Calculations of Spectroscopic Properties of Copernicium and Flerovium Monoxides	7
Strongly Bound π‐Hole Tetrel Bonded Complexes between H2SiO and Substituted Pyridines. Influence of Substituents	7
Characterizing the Behavior of Water Interacting with a Nano‐Pore Material: A Structural Investigation in Native Environment Using Magnetic Resonance Approaches	7
Parameter Dependency of Electrochemical Reduction of CO2 in Acetonitrile – A Data Driven Approach	7
Unveiling Eco‐Friendly Reverse Micelle Systems: Dimethyl Carbonate as a Novel Biocompatible Solvent	7
Activity‐Based Models to Predict Kinetics of Levulinic Acid Esterification	7
Radial Behavior of Electrostatic Potentials of Atoms and Ions Revisited: Isotropy and Anisotropy	7
Cover Feature: Self‐Consistent Convolutional Density Functional Approximations: Application to Adsorption at Metal Surfaces (ChemPhysChem 10/2024)	7
Metal Organic Frameworks as Polysulfide Reaction Modulators for Lithium Sulfur Batteries: Advances and Perspectives	7
Cover Feature: Comprehensive Theoretical View of the [Cu2O2] Side‐on‐Peroxo‐/Bis‐μ‐Oxo Equilibria (ChemPhysChem 14/2022)	7
Phase Evolution and Electrochemical Properties of Nanometric Samarium Oxide for Stable Protonic Ceramic Fuel Cells	7
Synthesis of Multi‐Functional Graphene Monolayers via Bipolar Electrochemistry	7
On the Unusual Global Aromaticity of Two Cyclopenta‐Ring‐Fused Oligo(m‐Phenylenes)	7
Spherical Aromaticity of Tetrahedral Pnictogens Through Off‐Nucleus Isotropic Magnetic Shielding	7
Chromogenic Chemosensor for Simultaneous Detection of PO43− and CO32− Anions in Organo‐Aqueous Solutions: Application in Arduino Based Electronic Color Sens	7