ChemPhysChem

Article	Citations
	102
Cover Feature: Energetics of Sulfur‐Carbon Interaction (ChemPhysChem 24/2022)	88
Adducing Knowledge Capabilities of Instrumental Techniques Through the Exploration of Heterostructures’ Modification Methods	72
Front Cover: Dissociation of N2 on a Si(111)‐7x7 Surface at Room Temperature (ChemPhysChem 15/2023)	53
Accurate Geometry and Non‐Covalent Interactions in 1‐Phenylethanol and its Monohydrate: A Rotational Study	48
Front Cover: Transitions of Collective Motions Driven by Phase Resetting (ChemPhysChem 12/2023)	44
Mechanistic Insights into the Selectivity of Norcarane Oxidation by Oxo‐Manganese(V) Porphyrin Complexes	41
The Steady‐State ALTADENA RASER Generates Continuous NMR Signals	40
Cover Feature: Low‐boiling Point Perfluorocarbon Nanodroplets as Dual‐Phase Dual‐Modality MR/US Contrast Agent (ChemPhysChem 24/2022)	31
Cluster Amplitudes and Their Interplay with Self‐Consistency in Density Functional Methods	30
Cover Feature: Optical Physical Mechanisms of Helicene Carbon Nanohoop with Möbius Topology (ChemPhysChem 8/2023)	30
Combined Modelling of Triply Paired Electronic States of HO2+ ion with 3 Symmetry using Coupled Eigen Model	29
Predicting a New Δ‐Proton Sponge‐Base of 4,12‐Dihydrogen‐4,8,12‐triazatriangulene through Proton Affinity, Aromatic Stabilization Energy, and Aromatic Magnetism	28
Revisiting the TCNQF40/1−/2− Catalysis Mechanism for the [Fe(CN)6]3−/4−‐S2O32−/S4O62− Redo	27
The Hunter Falls Prey: Photoinduced Oxidation of C60 in Inclusion Complex with Perfluorocycloparaphenylene	27
Front Cover: Binding Energy Partition of Promising IRAK‐4 Inhibitor (Zimlovisertib) for the Treatment of COVID‐19 Pneumonia (ChemPhysChem 24/2022)	26
Cover Feature: Rare Spin Avoided σ‐σ Diradical Planar Tetracoordinate Boron Cluster: A Proto‐Star for Planar Pentacoordination (ChemPhysChem 18/2023)	26
Elucidating the Mechanism of Simultaneous Activation of CH4 and CO2 Mediated by Single Group 10 Metal Anions in Gas Phase	26
Assignment of a Physical Energy Scale for the Dimensionless Interaction Energies within the PRIME20 Peptide Model	25
Dissociation of N2 on a Si(111)‐7x7 Surface at Room Temperature	25
Revisiting Numerical Solutions of Weakly Bound Noble Gases’ Vibrational Energy Levels Modeled by the Improved Lennard‐Jones Potential	24
Charge‐transfer Adducts vs Iodine(I) Complexes: Dual Role of Halogen Bonding in Reactions of Diiodine with N‐donor Bases	23
On the Solvation Properties of Menthol‐Thymol Mixtures. A Molecular Dynamics Investigation	23
Coadsorption of ZnTPP and 2HMCTPP on Rutile TiO2(110)	21
Converting Second‐Order Saddle Points to Transition States: New Principles for the Design of 4π Photoswitches	21

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Nitrogen and Sulfur Doped Porous Carbon Sheet with Trace Amount of Iron as Efficient Polysulfide Conversion Catalyst for High Loading Lithium‐Sulfur Batteries	21
Adsorption of Carbamazepine in All‐Silica Zeolites Studied with Density Functional Theory Calculations**	21
Computational Study of Carbon Dioxide Capture by Tertiary Amines	20
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N, S Co‐Doped Carbon Nanotubes Loaded With Cu Nanoclusters For Efficient Oxygen Reduction Reaction	19
Efficient and Accurate Description of Diels‐Alder Reactions Using Density Functional Theory**	19
Cover Feature: Deciphering Mg‐Surface Interactions with Unsaturated Hydrocarbons: An Integrated Experimental‐Theoretical Study (ChemPhysChem 7/2025)	19
Nanobubbles in Ultrapure Water Can Self‐Propel	19
The Interaction of Ether‐Based Functionalized Ionic Liquids in Lithium–Sulfur Batteries: A First‐Principles Study	19
High‐Performance Mo‐CoS2 Nanoplates Derived from Metal‐Organic Frameworks for Asymmetric Supercapacitor Applications	18
Studies of the Catalytic Activity of New Nickel(II) Compounds Containing Pyridine Carboxylic Acids Ligands in Oligomerization Processes of Selected Olefins and Cyclohexyl Isocyanide	18
Nonadiabatic Photodynamics of Amantadine and 1‐Cyanoadamantane Cations	18
A Density Functional Benchmark for Dehydrogenation and Dehalogenation Reactions on Coinage Metal Surfaces	18
Molecular Oxygen Trimer: Multiplet Structures and Stability	17
Electronic and Nonlinear Optical Properties of B(III)‐Submonoazaporphyrin‐π‐Diimide Compounds: A Density Functional Theory Study	17
Improved Conductivity and in Situ Formed Heterojunction via Zinc Doping in CuBi2O4 for Photoelectrochemical Water Splitting	17
The Bond Energy of the Carbon Skeleton in Polyaromatic Halohydrocarbon Molecules	17
A nuclear configuration interaction approach to study nuclear spin effects: an application to ortho‐ and para‐3He2@C60	17
Cover Feature: Increasing Complexity in Adamantyl Thioethers Characterized by Rotational Spectroscopy (ChemPhysChem 23/2023)	17
Cover Feature: Background‐Free Detection of Spin‐Exchange Dynamics at Ultra‐Low Magnetic Field (ChemPhysChem 19/2023)	17
Redox Properties and in Vivo Magnetic Resonance Imaging of Cyclodextrin‐Polynitroxides Contrast Agents	17
An Algebraic Blueprint for Predicting Turnover Numbers and Endpoints in Photocatalysis	17
Comparison of Structural, Water‐Retaining and Sorption Properties of Acrylamide‐Based Hydrogels Cross‐Linked by Physical and Chemical Methods	17
Neuromorphic Liquids, Colloids, and Gels: A Review	16
Front Cover: An Algebraic Blueprint for Predicting Turnover Numbers and Endpoints in Photocatalysis (ChemPhysChem 3/2024)	16
Elaborating the Fluorescence Regulation and Quenching Mechanism of Sulfur‐for‐Oxygen Replacement for Fluorophores	16
The Effect of Fluorinated Solvents on the Physicochemical Properties, Ionic Association, and Free Volume of a Prototypical Solvate Ionic Liquid	16
Cover Feature: Overcoming Challenges in Density Functional Theory‐Based Calculations of Hyperfine Coupling Constants for Heavy Heteroatom Radicals (ChemPhysChem 10/2025)	15
Branching‐Chain Propagation of Parahydrogen‐Derived Nuclear Spin Order on a Catalyst Surface	15
Data‐Efficient Active Learning for Thermodynamic Integration: Acidity Constants of BiVO4 in Water	15
Substituent Effect of Superhalogens on the Metallodrug IMeAuCl: A DFT Study	15
Energetic Ordering of Hydrogen Bond Strengths in Methanol‐Water Clusters: Insights via Molecular Tailoring Approach	15
Impedance Response of a Thin Film on an Electrode: Deciphering the Influence of the Double Layer Capacitance	15
Voltammetric Behaviour of LMO at the Nanoscale: A Map of Reversibility and Diffusional Limitations	15
Thermal Isomerization Rates of New Azoquinoline‐Functionalized Copolymers as a Function of Substitution Patterns	15
Carbon Dioxide Reduction on Transition Metal Dichalcogenides with Ni and Cu Edge Doping: A Density‐Functional Theory Study	15
Homogeneous Dephasing in Photosynthetic Bacterial Reaction Centers: Time Correlation Function Approach	14
Electrochemical NH‐Sulfoximidation with α‐Keto Acids	14
Reaction Kinetics of the Benzylation of Adenine in DMSO: Regio‐Selectivity Guided by Entropy	14
Prediction of M3B4‐type MBenes as Promising Catalysts for CO2 Capture and Reduction	14
Vibrational Features of Oxyamines: A Comparative Study of N,N‐Diethylhydroxylamine and N,N‐Diethylacetyloxyamine	14
Protonation Effects on the Benzoxazine Formation Pathways and Products Distribution	14
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Tricyclic 1,4‐Diphosphinines: Local vs. Global Aromaticity	14
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)	13
Cover Feature: A Magnetocaloric Glass from an Ionic‐Liquid Gadolinium Complex (ChemPhysChem 12/2022)	13
Directly Bound Deuterons Increase X‐Nuclei Hyperpolarization using Dynamic Nuclear Polarization	13
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Interacting Quantum Atoms Analysis of the Reaction Force: A Tool to Analyze Driving and Retarding Forces in Chemical Reactions	13

Vibrational Sum Frequency Generation Spectra of Water‐Vapor Interfaces Covered by Alcohols: Effects of Surface Coverage and Coupling between Oscillators	13
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Galvanostatic Fast Charging of Alkali‐Ion Battery Materials at the Single‐Particle Level: A Map‐Driven Diagnosis	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
Molecular‐Level Insight into the Chlorofluorocarbons Adsorption by Defective Covalent Organic Polymers	12
Rationalizing Aggregate Structures with Orbital Contributions to the Exchange‐Repulsion Energy**	12
Cover Feature: Activity‐Based Models to Predict Kinetics of Levulinic Acid Esterification (ChemPhysChem 4/2023)	12
Near‐infrared Piezochromic Materials at High Pressure	12
Noncovalent Axial I⋅⋅⋅Pt⋅⋅⋅I Interactions in Platinum(II) Complexes Strengthen in the Excited State	12
The Effect of Pristine and Hydroxylated Oxide Surfaces on the Guaiacol HDO Process: A DFT Study	12
Catalytic NO Reduction by NO Pre‐Adsorbed RhCeO2NO−Clusters	12
Mechanisms of Complete Dissociation of CO2 on Iron Clusters	12
Band Structure Engineering of Single Pt Atoms on Fe−TiO2 for Enhanced Photocatalytic Performance	12
Concentration Effect, Structural Properties, and Driving Force on Aβ28 Dimerization with and without Zn2+ Cooperation: Learning from Replica Exchange Sampling**	12
Early Divergence in Misfolding Pathways of Amyloid‐Beta Peptides	12
Linear and Two‐Dimensional Infrared Spectroscopy of the Multifunctional Vibrational Probe, 3‐(4‐Azidophenyl) Propiolonitrile. Deperturbing a Fermi Triad by Isotopic Substitution	12
Composing NLO Chromophore as a Puzzle: Electrochemistry‐based Approach to Design and Effectiveness	12
Cover Feature: Rotation‐Inversion Isomerization of Tertiary Carbamates: Potential Energy Surface Analysis of Multi‐Paths Isomerization Using Boltzmann Statistics (ChemPhysChem 1/2023)	12
Front Cover: Length‐Dependent Collective Vibrational Dynamics in Alpha‐Helices (ChemPhysChem 12/2022)	12
The Solute Polarization and Structural Effects on the Nonlinear Optical Response of Based Chromone Molecules	11
Using Lateral Substitution to Control Conformational Preference and Phase Behaviour of Benzanilide‐based Liquid Crystal Dimers	11
Deciphering the Role of Substitution in Transition‐Metal Phosphorous Trisulfide (100) Surface: A Highly Efficient and Durable Pt‐free ORR Electrocatalyst	11
Going from Pt to PGM‐free Catalysts: Effects of Ink Compositions on PEM Water Electrolysis	11
Possibilities and Limitations of Kinetic Studies in On‐Surface Synthesis by Real Time X‐ray Photoelectron Spectroscopy	11
Shrinking Devices: Shape‐Memory Polymer Fabrication of Micro‐and Nanostructured Electrodes	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
Impact of Multimeric Ferrocene‐containing Cyclodecapeptide Scaffold on Host‐Guest Interactions at a β‐Cyclodextrin Covered Surface	11
Aromaticity and Antiaromaticity Reversals between the Electronic Ground State and the Two Lowest Triplet States of Thiophene	11
Luminescence Mechanisms of Quaternary Zn−Ag−In−S Nanocrystals: ZnS:Ag, In or AgInS2:Zn?	11
Quantum Dynamics of O(3P)+HBr→OH+Br Reaction: Integral Cross Sections and Rate Constants and their Initial State Dependence	11
Electron and Spin Delocalization in [Co6Se8(PEt3)6]0/+1 Superatoms	11
The Importance of Reaction Energy in Predicting Chemical Reaction Barriers with Machine Learning Models	11
Photocatalytic Hydrogen Production Activity and Mechanism of New Nickel‐Based Sulfur Complexes in Aqueous Solution	11
Acetylation Rather than H50Q Mutation Impacts the Kinetics of Cu(II) Binding to α‐Synuclein	11
Simulation of Hydrogen Adsorption in Hierarchical Silicalite: Role of Electrostatics and Surface Chemistry	11
Using Energetic Information Quantities from Density Functional Theory to Simultaneously Identify Both Covalent and Noncovalent Interactions	11
Cover Feature: Controlling Chirogenic Effects in Porphyrin Based Supramolecular Systems: Theoretical Analysis Versus Experimental Observations (ChemPhysChem 11/2024)	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
Extractive Mass Transfer of Zr(IV) into a Hydrophobic Ionic Liquid Medium Containing Diglycolamide Extractant: Solvent Extraction and Spectroscopic Analysis	10
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Theoretical Study on B‐doped FeN4 Catalyst for Potential‐Dependent Oxygen Reduction Reaction	10
New Prediction Model of Surface and Interfacial Energies Based on COSMO‐UCE**	10
Investigating Possible Dipole‐Bound States of Cyanopolyynes: the Case for the C5N− Anion Detected in Interstellar Space	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
Interpretable Machine Learning Models for Practical Antimonate Electrocatalyst Performance	10
Does Chiral Sensitivity of a Structure Depend on the Metal Core? Alkali Ion Complexes of Cyclo(Tyr‐Tyr)	10
Equiatomic binary phases of Copper‐Rare Earth Elements. An overview of monocuprides from first‐principles calculations	10
Synthesis and Mechanical Properties of sub 5‐μm PolyUiO‐66 Thin Films on Gold Surfaces	10
Adsorption Structures, Vibrational Raman Spectra and Chemical Binding Properties of Thioglycolic Acid on Cu(111) Surfaces: A DFT Study	10
Identifying Exchangeable Protons in a 1D NMR Spectrum by Spatially Selective Exchange‐Editing	10
Acidity of Isomorphic Substituted Zeolites with B, Al and Ga Revisited	10
Role of Triplet States in the Photolysis of Proteogenic Amino Acids	10
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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 Approach	10
Frustrated Lewis Pairs Based on Carbon⋅⋅⋅Carbon+Tetrel Bonds: A DFT Study	10
Angle‐Dependent Raman Spectra of Crystal Polymorphs of GaO: A Computational Study	10
Single Atom Sites in Ga‐Ni Supported Catalytically Active Liquid Metal Solutions (SCALMS) for Selective Ethylene Oligomerization	10
Highly Efficient and Chemoselective Tandem Hydroformylation‐Hydrogenation of Alkenes to Alcohols over g‐CN Supported Bimetallic Rh and Co Nanoparticles Catalysts	10
Plasmon Mediated Electron Transfer and Temperature Dependent Electron‐Phonon Scattering in Gold Nanoparticles Embedded in Dielectric Films	10
Retaining Hückel Aromaticity in the Triplet Excited State of Azobenzene	10
Metallofullertube: From Tubular Endohedral Structures to Properties	10
Cover Feature: Disentangling the Conformational Space and Structural Preferences of Tetrahydrofurfuryl Alcohol Using Rotational Spectroscopy and Computational Chemistry (ChemPhysChem 12/2024)	10
Computational Modeling: Up‐to‐Date Approaches and Cutting‐Edge Applications from Clusters, Nanostructures to Bulk Systems	10
Theoretical Rotational and Vibrational Spectral Data for the Hypermagnesium Oxide Species Mg2O and Mg2O+	10
Functional Group Modification and Bonding Characteristics of Ti3C2 MXene‐Organic Composites from First‐Principles Calculations	10
Electronic excitation transfer dynamics in a 3‐site system using an incoherent Born‐Markov rate model	10
Front Cover: Blueshift in Trifurcated Hydrogen Bonds: A Tradeoff between Tetrel Bonding and Steric Repulsion (ChemPhysChem 1/2024)	10
Solvent Effects on the 1H‐NMR Chemical Shifts of Imidazolium‐Based Ionic Liquids	10
CO2 Capture, Separation and Reduction on Boron‐Doped MoS2, MoSe2 and Heterostructures with Different Doping Densities: A Theoretical Study	10
Reaction Cycle of Operating Pump Protein Studied with Single‐Molecule Spectroscopy**	10
PHRONESIS: A One‐Shot Approach for Sequential Assignment of Protein Resonances by Ultrafast MAS Solid‐State NMR Spectroscopy	10
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The σ+π dual aromaticity of typical bi‐tetrazole ring molecule TKX‐50	10
Quantitative Descriptions of Dewar‐Chatt‐Duncanson Bonding Model: A Case Study of Zeise and Its Family Ions	9
The Rivalry between Intramolecular Tetrel Bonds and Intermolecular Hydrogen Bonds in (O−Si) Chelates of N‐Silylmethylamides and ‐ureas. A Theoretical Study	9
Front Cover: Application of Exciton Coupling for Characterization of Nanographene Edge (ChemPhysChem 5/2024)	9
Investigation of CO2 Orientational Dynamics through Simulated NMR Line Shapes**	9
Relativistic Density Functional NMR Tensors Analyzed with Spin‐free Localized Molecular Orbitals	9

Rotation‐Inversion Isomerization of Tertiary Carbamates: Potential Energy Surface Analysis of Multi‐Paths Isomerization Using Boltzmann Statistics	9
Photodetachment of Deprotonated R‐Mandelic Acid: The Role of Proton Delocalization on the Radical Stability	9
Role of Solvent in Electron‐Phonon Relaxation Dynamics in Core‐Shell Au−SiO2 Nanoparticles	9
Thermal Properties of MXenes and Relevant Applications	9
Low‐Energy Elastic Scattering of Electrons from 2H‐Pyran and 4H‐Pyran with Time Delay Analysis of Resonances	9
Low‐cost periodic calculations of metal‐organic frameworks: A GFN1‐xTB perspective	9
Bayesian Optimization for Efficient Prediction of Gas Uptake in Nanoporous Materials	9
CORRIGENDUM: Molecular Oxygen Trimer: Multiplet Structures and Stability	9
Exploring the Effects of Ionic Defects on the Stability of CsPbI3 with a Deep Learning Potential	9
Time‐Dependent Hydrogen Bond Network Formation in Glycerol‐Based Deep Eutectic Solvents	9
On the Nature of the Out‐of‐Plane Distortions in Subporphyrins	9
Toward Rational Design of Mononuclear Nickel Complexes as Water Oxidation Catalysts Exploring the Ligand Effects on the Rate‐Determining Step	9
Photoelectron Photoion Coincidence Spectroscopy of Biradicals	9
On the Catalytic Performance of (ZrO)n (n=1–4) Clusters for CO Oxidation: A DFT Study	9
Progress and Perspectives of Lithium Isotope Separation	9
Tailored Porous Transport Layers for Optimal Oxygen Transport in Water Electrolyzers: Combined Stochastic Reconstruction and Lattice Boltzmann Method	9
Cover Feature: In Silico Screening of CO2‐Dipeptide Interactions for Bioinspired Carbon Capture (ChemPhysChem 4/2025)	9
The Hydrogen Evolution Activity of BaZrS3, BaTiS3, and BaVS3 Chalcogenide Perovskites	9
Interfacial Electronic Structure Engineering of NiCo2Se4 and NiTe2 Nanorods for Enhanced Hydrogen Evolution Reaction	9
Dissociative Adsorption of H2S on Li(110) Surface Using Density Functional Theory Calculations and Car‐Parrinello Molecular Dynamics Simulations	9
Cation‐lone Pair Interaction in Alkali/Alkaline Earth Metal Ion‐Heavier Borazine Analogue Complexes	9
Cover Feature: Temperature and Composition Dependent Optical Properties of CdSe/CdS Dot/Rod‐Based Aerogel Networks (ChemPhysChem 2/2022)	9
Controlling the Nature of Photoluminescence of Emissive Metal Nanoclusters	9
Theoretical Prediction of Enhanced Hydrogen Evolution Reaction Electrocatalysts Based on Tantalum Phosphide	9
Influence of Pt Alloying on the Fluorescence of Fully Inorganic, Colloidal Gold Nanoclusters	9
The Reaction of o‐Benzyne with Vinylacetylene: An Unexplored Way to Produce Naphthalene	9
Exhaustive Conformational Search for Sialyl Cation Reveals Possibility of Remote Participation of Acyl Groups	8
Front Cover: Development of a Core–Shell Heterojunction TiO2/SrTiO3 Electrolyte with Improved Ionic Conductivity (ChemPhysChem 11/2022)	8
Turning Trash to Treasure: The Influence of Carbon Waste Source on the Photothermal Behaviour of Plasmonic Titanium Carbide Interfaces	8
Cover Feature: Dynamics of Citrate Coordination on Gold Nanoparticles Under Low Specific Power Laser‐Induced Heating (ChemPhysChem 7/2023)	8
Organic Supercapacitors as the Next Generation Energy Storage Device: Emergence, Opportunity, and Challenges	8
Cr2O3 Promoted In2O3 Catalysts for CO2 Hydrogenation to Methanol	8
Ab Initio Study of H‐Bond Dynamics in Three‐Component Crystals Comprising (DABCOH+)nPolycationic Chains	8
Approaching the Lower Temporal Limit of Laser‐Produced Plasma Sources for Table‐Top Soft X‐Ray NEXAFS Measurements	8
Methyl Red Adsorption on Biochar Obtained by Physical Activation of Caraway Seeds with Carbon Dioxide	8
Confinement Dynamics of Nanodroplets between Two Surfaces: Effects of Wettability and Electric Field	8
Oxygen‐Induced Dissociation of a Single Water Molecule in Confined 2‐D Layers: A Semiempirical Study	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
Order‐Unity 13C Nuclear Polarization of [1‐13C]Pyruvate in Seconds and the Interplay of Water and SABRE Enhancement	8
Prediction of the Phase Composition Profile of Three‐Compound Mixtures in Liquid‐Liquid Equilibrium: A Chemoinformatics 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
Photoionization, Structures, and Energetics of Na‐Doped Formic Acid–Water Clusters	8
Greener Approach Towards Synthesis of Palladium‐Decorated Graphene Derivatives for Hydrogen Adsorption	8
Fundamental Aspects of Ceria Supported Au Catalysts Probed by In Situ/Operando Spectroscopy and TAP Reactor Studies	8
High Sensitivity Stimulated Raman Scattering Microscopy with Electronic Resonance Enhancement	8
Formation of Temporary Negative Ions and Their Subsequent Fragmentation upon Electron Attachment to CoQ0 and CoQ0H2	8
Dealloying Synthesis of Silicon Nanotubes for High‐Performance Lithium Ion Batteries	8
Simultaneous Ring‐Opening and Dehydrogenation of Diarylethene Induced by Tunneling Electrons	8
Phase Diagrams of Anthracene Derivatives in Pyridinium Ionic Liquids	8
Theoretical Simulations of Kinetic Isotope Effects on Decarboxylation of 3‐Carboxybenzisoxazole	8
Cover Feature: Vibrationally Resolved Inner‐Shell Photoexcitation of the Molecular Anion C2− (ChemPhysChem 11/2023)	8
Cover Feature: Combining Open‐Shell Verdazyl Environment and Co(II) Spin‐Crossover: Spinmerism in Cobalt Oxoverdazyl Compound (ChemPhysChem 9/2022)	8
Capturing the Polarization Response of Solvated Proteins under Constant Electric Fields in Molecular Dynamics Simulations	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
Photophysics of Benzoxazole and Dicyano Functionalised Diketopyrrolopyrrole Derivatives: Insights into Ultrafast Processes and the Triplet State	8
Photoinduced Anisotropy in Thin Films of Azobenzene‐Containing Liquid Crystalline Supramolecular Complexes of Various Polymer Architecture	8
Binding Energy Partition of Promising IRAK‐4 Inhibitor (Zimlovisertib) for the Treatment of COVID‐19 Pneumonia	8
Structure Formation and Coupling Reactions of Hexaphenylbenzene and Its Brominated Analog	8
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
Harmonic Scale Factors of Fundamental Transitions for Dispersion‐corrected Quantum Chemical Methods	8
Microkinetic Modelling of Electrochemical Oxygen Evolution Reaction on Ir(111)@N‐Graphene Surface	8
Constructing Potential Energy Surface with Correlated Theory for Dipeptides Using Molecular Tailoring Approach	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
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)	8
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Self‐Organization of Lipid‐Porphyrin Conjugates at the Air/Water Interface	7
Designing Double Perovskites with Organic Dications for Enhancing Stability and Photoelectrical Performance	7
Towards π‐wires on a semiconductor surface: Benzyne on Si(001)	7
Relativistic Coupled‐Cluster Calculations of Spectroscopic Properties of Copernicium and Flerovium Monoxides	7
Vibrational Properties of LaNb0.8M0.2O4‐δ (M=As, Sb, V, and Ta)	7
Cover Feature: Self‐Consistent Convolutional Density Functional Approximations: Application to Adsorption at Metal Surfaces (ChemPhysChem 10/2024)	7
In Silico Screening of CO2‐Dipeptide Interactions for Bioinspired Carbon Capture	7
Unveiling Eco‐Friendly Reverse Micelle Systems: Dimethyl Carbonate as a Novel Biocompatible Solvent	7
Luminescence and Stability of 1,4,5‐Triaryl‐1,2,3‐Triazoles	7
Cationic Exciplexes: Role of Hydrogen Bonding in Deactivation and Electronic Coupling	7
Cover Feature: Phosphide‐Based Electrocatalysts for Urea Electrolysis: Recent Trends and Progress (ChemPhysChem 8/2024)	7
Magnetic Modulation in Heteroallene and Heterocumulene Based tert‐butyl Nitroxide Diradicals: Spin Delocalization and Conformation Play Crucial Roles	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
DFT‐based Machine Learning for Ensemble Effect of Pd@Au Electrocatalysts on CO2 Reduction Reaction	7
Cover Feature: Production of Dihydrogen Using Ammonia Borane as Reagent and Pyrazole as Catalyst (ChemPhysChem 17/2023)	7
Front Cover: Synthesis of Multi‐Functional Graphene Monolayers via Bipolar Electrochemistry (ChemPhysChem 16/2024)	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
Embarking on a New Journey	7
Foams‐To‐Films: A Facile Approach Towards Space‐Confined CVD Growth of MoS2	7
Can Li Atoms Anchored on Boron‐ and Nitrogen‐Doped Graphene Catalyze Dinitrogen Molecules to Ammonia? A DFT Study	7
Front Cover: Effects of the Nature of Metal Ion, Protein and Substrate on the Catalytic Center in Matrix Metalloproteinase‐1: Insights from Multilevel MD, QM/MM and QM Studies (ChemPhysChem 4/2022)	7
Strongly Bound π‐Hole Tetrel Bonded Complexes between H2SiO and Substituted Pyridines. Influence of Substituents	7
Cover Feature: Comprehensive Theoretical View of the [Cu2O2] Side‐on‐Peroxo‐/Bis‐μ‐Oxo Equilibria (ChemPhysChem 14/2022)	7
The Inner Hydration in Surfactant/Cholesterol Vesicles Differs from the Outer One: A Spectroscopic Investigation	7
Length‐Dependent Collective Vibrational Dynamics in Alpha‐Helices	7
Influence of Atmospheric Gas Species on an Argyrodite‐Type Sulfide Solid Electrolyte During Moisture Exposure	7
Chromogenic Chemosensor for Simultaneous Detection of PO43− and CO32− Anions in Organo‐Aqueous Solutions: Application in Arduino Based Electronic Color Sens	7
Cover Feature: Comparison of the Ability of N‐Bases to Engage in Noncovalent Bonds (ChemPhysChem 15/2023)	7
Corrosion Inhibition of Mild Steel by Coumarate‐Based Ionic Liquids and Coatings	7