ChemPhysChem

Article	Citations
Front Cover: Experimental and Theoretical Structure Elucidation of the [2 : 1] Complex Ion of Carbo[n]helicene with n=6, 7 and 8 and Ag+ (ChemPhysChem 21/2023)	95
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Green Power: The Role of Plant‐Based Biochar in Advanced Energy Storage	65
A Density Functional Benchmark for Dehydrogenation and Dehalogenation Reactions on Coinage Metal Surfaces	60
Kinetics and Dynamics of Cyclopentanone Thermal Decomposition in Gas Phase	52
Data‐Efficient Active Learning for Thermodynamic Integration: Acidity Constants of BiVO4 in Water	44
On the Solvation Properties of Menthol‐Thymol Mixtures. A Molecular Dynamics Investigation	44
Se‐Doping on Co4S3 Cathode Based on Soft Anion Chemistry to Enhance Magnesium Storage Performance	41
Theoretical Study of the Reversible Hydrogenation of Carbon Dioxide to Formate on Mn‐Pincer Complexes	39
Exploring Surface State and Exciplex Dominated Aggregation Induced Electrochemiluminescence of Graphene Quantum Dots Prepared via Electrochemical Exfoliation	39
Can Counter‐Intuitive Halogen Bonding Be Coulombic?	38
Intermolecular Interaction, Electronic Structure and Aromaticity of Possible Dimers of Cyclo[18]Carbon (C18)	38
Spherical Nucleic Acids Meet Acoustic Levitation: A Breakthrough in Synthesis and Application	31
Substituent Effect of Superhalogens on the Metallodrug IMeAuCl: A DFT Study	31
Understanding Nanoparticle Electronic Spin‐State Dynamics and Properties Using Variable‐Temperature, Variable‐Field Magnetic Circular Photoluminescence	29
Car‐Parrinello Molecular Dynamics Elucidate Atomic Nitrogen Reactivity Under Nanoflask (C70) Confinement Conditions	29
Studies of Catalytic Activity of New Nickel(II) Compounds Containing Pyridine Carboxylic Acids Ligands in Oligomerization Processes of Selected Olefins and Cyclohexyl Isocyanide	28
Hexylation Stabilises Twisted Backbone Configurations in the Prototypical Low‐Bandgap Copolymer PCDTBT	27
Quantum Chemistry in Solution: Fiftieth Anniversary	26
Electrochemical Performance of High‐Valence Mo6+ and Low‐Valence Mn2+ Doped‐ Na3V2(PO4)3@C Cathode for Sodium‐Ion Batteries	25
New Luminescent Lanthanide Tetrakis‐Complexes NEt4[LnL4] Based on Dimethyl‐N‐Benzoylamidophosphate	24
Computational Evaluation of Redox Potentials of Metal Complexes for Aqueous Flow Batteries	24
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New Perspectives on Delocalization Pathways in Aromatic Molecular Chameleons	23
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High‐Performance Mo‐CoS2 Nanoplates Derived from Metal‐Organic Frameworks for Asymmetric Supercapacitor Applications	22
Quantitative Characterization of Fluorine‐Centered Noncovalent Interactions in Crystalline Benzanilides	22
Rational Control of Off‐State Heterogeneity in a Photoswitchable Fluorescent Protein Provides Switching Contrast Enhancement**	22
Coadsorption of ZnTPP and 2HMCTPP on Rutile TiO2(110)	21
Evaluating Quinolines: Molecular Dynamics Approach to Assess Their Potential as Acetylcholinesterase Inhibitors for Alzheimer's Disease.	21
Self‐Organization of Square Nitrogen Islands on Copper (100) Surfaces: Island Pair Distributions Based on an Ab‐Initio DFT and Mesoscopic Interaction Model	21
Review of Catalytic Electrodes Containing Iron‐Cobalt‐Nickel Composite Components for Water Electrolysis	20
Absorption and Excited‐State Coherences of Cryogenically Cold Retinal Protonated Schiff Base in Vacuo	20
Stand up for Electrostatics: The Disiloxane Case	19
Unfurling Anion‐π Interactions Involving Graphynes	19
The Steady‐State ALTADENA RASER Generates Continuous NMR Signals	19
Development and Application of a Complete Active Space Spin‐Orbit Configuration Interaction Program Designed for Single Molecule Magnets	19
Neuromorphic Liquids, Colloids, and Gels: A Review	18
Insights and Activation Energy Surface of the Dehydrogenation of C2HxO Species in Ethanol Oxidation Reaction on Ir(100)	18
Low‐Temperature Light‐off MnOx−Na2WO4‐Based Catalysts: A Step Forward to OCM Process Industrialization**	18
Simultaneous Broadband Suppression of Homonuclear and Heteronuclear Couplings in 1H NMR Spectroscopy	18
Potential‐Dependent Pt(111)/Water Interface: Tackling the Challenge of a Consistent Treatment of Electrochemical Interfaces**	17
Inorganic Bergman Cyclization: An Appeal From Theory	17
Activation and Conversion of Molecular Nitrogen to the Precursor of Ammonia on Silicon Substituted Cyclo[18]Carbon: a DFT Design	17
Benzenetriimide‐Based Molecular Conductor with Antiferro‐ to Ferromagnetic Switching Induced by Structural Change of π‐stacked Array	17
Understanding the Behaviour of Real Metaborates in Solution	17
Unraveling the Efficiency of Thioxanthone Based Triplet Sensitizers: A Detailed Theoretical Study	17
Force Dependent Barriers from Analytic Potentials within Elastic Environments	17
Cover Feature: Understanding the Surprising Oxidation Chemistry of Au−OH Complexes (ChemPhysChem 1/2023)	16
Structural, Electronic, and Optical Properties of Hexagonal XC6 (X=N, P, As, and Sb) Monolayers	16
Electronic Structure and Magnetic Properties of a High‐Spin MnIIIComplex: [Mn(mesacac)3] (mesacac=1,3‐Bis(2,4,6‐trimethylphenyl)‐propane‐1,3‐dionato)	16
Statistical Equivalence of Quantum Chemical Methods for Energy Distribution in Water Clusters	16
Reversible Entropy‐Driven Defect Migration and Insulator‐Metal Transition Suppression in VO2 Nanostructures for Phase‐Change Electronic Switching	15
Disentangling Excimer Emission from Chiral Induction in Nanoscale Helical Silica Scaffolds Bearing Achiral Chromophores	15
Ethanol Oxidation Reaction Mechanism on Gold Nanowires from Density Functional Theory	15
Low‐Temperature Thermal Formation of the Cyclic Methylphosphonic Acid Trimer [c‐(CH3PO2)3]	15
Hyperpolarization of cis‐15N2‐Azobenzene by Parahydrogen at Ultralow Magnetic Fields**	15
Ring‐polymer Molecular Dynamics Simulation for the Adsorption of H2 on Ice Clusters (H2O)n (n=8, 10, and 12)	15
Role of Hydrogen Bond Defects for Cluster Formation and Distribution in Ionic Liquids by Means of Neutron Diffraction and Molecular Dynamics Simulations	15
Cover Feature: Laser Photoreduction of Graphene Aerogel Microfibers: Dynamic Electrical and Thermal Behaviors (ChemPhysChem 23/2022)	15
Front Cover: Relativistic Density Functional NMR Tensors Analyzed with Spin‐free Localized Molecular Orbitals (ChemPhysChem 1/2023)	14
Combined Modelling of Triply Paired Electronic States of HO2+ ion with 3 Symmetry using Coupled Eigen Model	14
Towards Nematic Phases in Ionic Liquid Crystals – A Simulation Study	14
Acid‐Base and Anion Binding Properties of Tetrafluorinated 1,3‐Benzodiazole, 1,2,3‐Benzotriazole and 2,1,3‐Benzoselenadiazole	14
Ligand Effect on Physicochemical Properties of Ionic Liquid	14
NMR Study of CO2 Capture by Butylamine and Oligopeptide KDDE in Aqueous Solution: Capture Efficiency and Gibbs Free Energy of the Capture Reaction as a Function of pH**	14
Cover Feature: Exploring the Potential of Multinuclear Solid‐State 1H, 13C, and 35Cl Magnetic Resonance To Characterize Static and Dynamic Disorder in Pharmaceutical H	14
Near Infrared Light‐to‐Heat Conversion for Liquid‐Phase Oxidation Reactions by Antimony‐Doped Tin Oxide Nanocrystals	14
Adducing Knowledge Capabilities of Instrumental Techniques Through the Exploration of Heterostructures’ Modification Methods	14
ZrN6‐Doped Graphene for Ammonia Synthesis: A Density Functional Theory Study	14
Front Cover: Binding Energy Partition of Promising IRAK‐4 Inhibitor (Zimlovisertib) for the Treatment of COVID‐19 Pneumonia (ChemPhysChem 24/2022)	14
Interface Phenomena	13
Comparative Hydrophobic Core Dynamics Between Wild‐Type Amyloid‐β Fibrils, Glutamate‐3 Truncation, and Serine‐8 Phosphorylation	13
Front Cover: Transitions of Collective Motions Driven by Phase Resetting (ChemPhysChem 12/2023)	13
The Effect of Fluorinated Solvents on the Physicochemical Properties, Ionic Association, and Free Volume of a Prototypical Solvate Ionic Liquid	13

Cluster Amplitudes and Their Interplay with Self‐Consistency in Density Functional Methods	13
Ni‐Ti Intercalated and Supported Bentonite for Selective Hydrogenation of Cinnamaldehyde	13
Cover Feature: Energetics of Sulfur‐Carbon Interaction (ChemPhysChem 24/2022)	13
Cobalt Oxide Arrays Anchored to Copper Foam as Efficient Binder‐free Anode for Lithium Ion Batteries	13
Photobleaching Kinetics and Effect of Solvent in the Photophysical Properties of Indocyanine Green for Photodynamic Therapy	12
Intrinsically Chiral Twist‐Bend Nematogens: Interplay of Molecular and Structural Chirality in the NTB Phase	12
Front Cover: Dissociation of N2 on a Si(111)‐7x7 Surface at Room Temperature (ChemPhysChem 15/2023)	12
Cover Feature: Optical Physical Mechanisms of Helicene Carbon Nanohoop with Möbius Topology (ChemPhysChem 8/2023)	12
Front Cover: Revisiting the TCNQF40/1−/2− Catalysis Mechanism for the [Fe(CN)6]3−/4−‐S2O32−/S4O6	12
Front Cover: Formation of Temporary Negative Ions and Their Subsequent Fragmentation upon Electron Attachment to CoQ0 and CoQ0H2 (ChemPhysChem 5/2022)	12
Accurate Geometry and Non‐Covalent Interactions in 1‐Phenylethanol and its Monohydrate: A Rotational Study	12
Thermally and Optically Activated Migration of Charge Carriers in Alkali Metal Sesquioxides	12
Predicting a New Δ‐Proton Sponge‐Base of 4,12‐Dihydrogen‐4,8,12‐triazatriangulene through Proton Affinity, Aromatic Stabilization Energy, and Aromatic Magnetism	12
Structural Investigation of Small Nickel‐Ethanol Clusters Using Vibrational Spectroscopy in a Molecular Beam	12
Cation Co‐intercalation in Potassium Copper(II) Hexacyanoferrates	12
Front Cover: Structure and Conformation of Individual Molecules upon Adsorption of a Mixture of Benzoporphyrins on Ag(111), Cu(111), and Cu(110) Surfaces (ChemPhysChem 17/2023)	12
The Hunter Falls Prey: Photoinduced Oxidation of C60 in Inclusion Complex with Perfluorocycloparaphenylene	11
Molecular Dynamics Simulations of Nitric Oxide Scattering Off Graphene	11
Front Cover: Nano‐Optical Tweezers: Methods and Applications for Trapping Single Molecules and Nanoparticles (ChemPhysChem 14/2021)	11
Proton and Lithium Cations Linked to π‐Electron and σ‐Electron Systems: Are Such Interactions beyond or within the Definition of Hydrogen/Lithium Bond?	11
Transitions of Collective Motions Driven by Phase Resetting	11
Memristive Effect in Ti3C2Tx (MXene) Polyelectrolyte Multilayers	11
Photochemically Induced 1,3‐Butadiene Ring‐Closure from the Topological Analysis of the Electron Localization Function Viewpoint	11
On the Role of Amides and Imides for Understanding GaN Syntheses from Ammonia Solution: Molecular Mechanics Models of Ammonia, Amide and Imide Interactions with Gallium Nitride	11
Understanding the Molecular Origin of the Collective Movement in a Diarylethene‐based Photo‐Responsive Actuator	11
Cages versus Sheets: A Critical Comparison in the Size Range Expected for Methylaluminoxane (MAO)	11
Time‐Dependent Hydrogen Bond Network Formation in Glycerol‐Based Deep Eutectic Solvents	11
Comprehensive Mechanism for CO Electroreduction on Dual‐Atom‐Catalyst‐Anchored N‐Doped Graphene	11
Chemical Processes Involving 18‐Crown‐6‐Ether in Activated Noncovalent Complexes with Protonated Peptides	11
Monitoring the Light‐induced Isomerisation of the Prototypical Polycyclic Aromatic Hydrocarbons C10H8+ through Ion‐Molecule Reactions	11
Magnetic Resonance Detection of Gas Microbubbles via HyperCEST: A Path Toward Dual Modality Contrast Agent	11
A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part II: A ChemTraYzer Study of Chlorinated Dibenzofuran Formation and Decomposition Processes	10
Photoelectron Photoion Coincidence Spectroscopy of NCl3 and NCl2	10
Heavy‐Atom‐Free Bay‐Substituted Perylene Diimide Donor‐Acceptor Photosensitizers	10
Insight Into The Spin‐Vibronic Problem of a Mixed Valence Magnetic Molecular Cell for Quantum Cellular Automata	10
Identification of Electrochemically Adsorbed Species via Electrochemical Microcalorimetry: Sulfate Adsorption on Au(111)	10
Cover Feature: Photochemical Hydrogen Storage with Hexaazatrinaphthylene (ChemPhysChem 11/2022)	10
Front Cover: Reentrant 2D Nanostructured Liquid Crystals by Competition between Molecular Packing and Conformation: Potential Design for Multistep Switching of Ionic Conductivity (ChemPhysChem 8/2023)	10
Electrochemical Ammonia Synthesis via NO Reduction on 2D‐MOF	10
An Ensemble Structure and Physicochemical (SPOC) Descriptor for Machine‐Learning Prediction of Chemical Reaction and Molecular Properties	10
To Be or Not To Be? that is the Entropic, Enthalpic, and Molecular Interaction Dilemma in the Formation of (Water)20Clusters and Methane Clathrate	10
Boron Tunneling in the “Weak” Bond‐Stretch Isomerization of N−B Lewis Adducts	10
Semiclassical Trajectory Studies of Reactive and Nonreactive Scattering of OH(A2Σ+) by H2 Based on an Improved Full‐Dimensional Ab Initio Diabatic Potential Ene	10
Dissociative Excitation of Nitromethane Induced by Electron Impact in the Ultraviolet – Visible Spectrum	10
Acetylene‐Mediated Borophosphene Dirac Materials as Efficient Anode Materials for Lithium‐Ion Batteries	10
Cover Feature: Rational Development of a Metal‐Free Bifunctional System for the C−H Activation of Methane: A Density Functional Theory Investigation (ChemPhysChem 19/2021)	10
Catalytically Active CoSe2 Supported on Nitrogen‐Doped Three Dimensional Porous Carbon as a Cathode for Highly Stable Lithium‐Sulfur Battery	10
Anion‐Dependent Outstanding Luminescence Enhancement of Eu(D‐facam)3 Upon Coexistence With the Tetramethylammonium Cation	10
Reverse Intersystem Crossing of Single Deuterated Perylene Molecules in a Dibenzothiophene Matrix	10
A Theoretical Perspective to Study the Optical Properties of Tetrafluoroborates	10
Front Cover: Controlling Light‐Induced Proton Transfer from the GFP Chromophore (ChemPhysChem 9/2021)	10
Cover Feature: Low‐boiling Point Perfluorocarbon Nanodroplets as Dual‐Phase Dual‐Modality MR/US Contrast Agent (ChemPhysChem 24/2022)	10
Dealloying Synthesis of Silicon Nanotubes for High‐Performance Lithium Ion Batteries	10
Dielectric Spectroscopy Can Predict the Effect of External AC Fields on the Dynamic Adsorption of Lysozyme	10
Mechanistic Insights into the Selectivity of Norcarane Oxidation by Oxo‐Manganese(V) Porphyrin Complexes	10
Understanding the Target Search by Multiple Transcription Factors on Nucleosomal DNA	10
Cover Feature: Cation Co‐intercalation in Potassium Copper(II) Hexacyanoferrates (ChemPhysChem 9/2023)	10
Exploiting Phase Transitions in Catalysis: Adsorption of CO on doped VO2‐Polymorphs	10
The Special Case of the Spectral Emission of a Tb3+ Mono Metal Complex	10
A Magnetocaloric Glass from an Ionic‐Liquid Gadolinium Complex	10
Theoretical Screening of Transition Metal Doped Defective MoS2 as Efficient Electrocatalyst for CO Conversion to CH4	10
Theoretical Chemistry Symposium 2021	10
Mechanistic Investigation of H2O2‐dependent Chemiluminescence from Tetrabromo‐1,4‐Benzoquinone	9
Front Cover: The Steady‐State ALTADENA RASER Generates Continuous NMR Signals (ChemPhysChem 14/2023)	9
Spatial and Electronic Structures of BeB8 and MgB8: How far Does the Analogy Go?	9
Front Cover: Anion‐Dependent Outstanding Luminescence Enhancement of Eu(D‐facam)3 Upon Coexistence With the Tetramethylammonium Cation (ChemPhysChem 24/2021)	9
Elucidating the Mechanism of Simultaneous Activation of CH4 and CO2 Mediated by Single Group 10 Metal Anions in Gas Phase	9
In situ Gel Electrolytes for the Interfacial Regulation of Lithium Metal Batteries	9
Revisiting the TCNQF40/1−/2− Catalysis Mechanism for the [Fe(CN)6]3−/4−‐S2O32−/S4O62− Redo	9
Comparison of the Ability of N‐Bases to Engage in Noncovalent Bonds	9
Theoretical Design of an MoxW1‐xS2/Graphene (x=0.25/0.75) Heterojunction with Adjustable Band Gap: Potential Candidate Materials for the Next Generation of Optoelectro	9
Cover Feature: A Photoswitchable Solvatochromic Dye for Probing Membrane Ordering by RESOLFT Super‐resolution Microscopy (ChemPhysChem 12/2023)	9
Photoactive Zr and Ti Metal‐Organic‐Frameworks for Solid‐State Solar Cells	9
Effects of Ionic Liquids on the Thermodynamics of Hydrogen Activation by Frustrated Lewis Pairs: A Density Functional Theory Study**	9
Competition between Inter and Intramolecular Tetrel Bonds: Theoretical Studies Complemented by CSD Survey	9
Visible‐light‐driven Oxygen Vacancy and Carbon Doping of C@TiO2‐x Photocatalyst for Enhanced Pollutants Degradation Performance	9
Cover Feature: Theoretical Study of the Hydroxyl‐Radical‐Initiated Degradation Mechanism, Kinetics, and Subsequent Evolution of Methyl and Ethyl Iodides in the Atmosphere (ChemPhysChem 10/2023)	9
Infrared and NMR Spectroscopic Fingerprints of the Asymmetric H7+O3 Complex in Solution	9
Efficient Interrogation of the Kinetic Barriers Demarcating Catalytic States of a Tyrosine Kinase with Optimal Physical Descriptors and Mixture Models	9
Cover Feature: Rare Spin Avoided σ‐σ Diradical Planar Tetracoordinate Boron Cluster: A Proto‐Star for Planar Pentacoordination (ChemPhysChem 18/2023)	9

Front Cover: Interaction of Cyanoacrylate with Metal Oxide Surfaces (Cu, Al) (ChemPhysChem 10/2023)	9
Catalytic Deactivation and Regeneration of Nickel Microparticles in a Home‐Built Microchannel‐Coupled Millireactor: Substrate Specificity and Multiphase Flow Dependency	9
Photochemical Reaction Mechanism of Intramolecular H Transfer Reaction of H2C3O+⋅ Radical Cation	9
Energetic Ordering of Hydrogen Bond Strengths in Methanol‐Water Clusters: Insights via Molecular Tailoring Approach	9
Micro‐ and Nanoscale Heterogeneities in Zeolite Beta as Measured by Atom Probe Tomography and Confocal Fluorescence Microscopy	9
Optimizing the Photovoltaic Performance of Organic Solar Cells for Indoor Light Harvesting	9
Strong Structural and Electronic Binding of Bovine Serum Albumin to ZnO via Specific Amino Acid Residues and Zinc Atoms	9
Understanding the Deactivating/Activating Mechanisms in Three Optical Chemosensors Based on Crown Ether with Na+/K+ Selectivity Using Quantum Chemical Tools	9
Efficient and Accurate Description of Diels‐Alder Reactions Using Density Functional Theory**	9
Carbon Dioxide Reduction on Transition Metal Dichalcogenides with Ni and Cu Edge Doping: A Density‐Functional Theory Study	9
A Direct NMR Method To Measure Self‐Diffusion Coefficients in Liquids by Monitoring Diffusing Molecules through One‐Dimensional Imaging	9
Capacitive Impedance for Following In‐Situ Grafting Kinetics of Diazonium Salts	9
Front Cover: Efficient Direct Reverse Intersystem Crossing between Charge Transfer‐Type Singlet and Triplet States in a Purely Organic Molecule (7/2021)	9
Reverse Dual‐Ion Battery Enabled by Reversing the Cation/Anion Storage Mechanism in an Aqueous ZnCl2 Water‐in‐Salt Electrolyte	9
Indirect Nuclear Spin‐Spin Exchange Coupling through Solvated Electron in Small Sizes of Cyclic and Cage‐Shaped Perfluoroalkanes	9
Dissociation of N2 on a Si(111)‐7x7 Surface at Room Temperature	9
DFT Study of the BH4− Hydrolysis on Au(111) Surface	9
Effects of Heavy Iodine Atoms and π‐Expanded Conjugation on Charge Transfer Dynamics in Carboxylic Acid BODIPY Derivatives as Triplet Photosensitizers	8
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Estimate of the C−Cl photoionization cross section and absolute photoionization cross sections of chlorinated organic compounds	8
Quantum Chemistry and Pharmacy: Diagnostic Check of the Thermochemistry of Ibuprofen	8
Cover Feature: Revealing the Mechanistic Features of an Electrosynthetic Catalytic Reaction and the Role of Redox Mediators through DFT Calculations and Microkinetic Modeling (ChemPhysChem 15/2024)	8
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Cover Feature: Increasing Complexity in Adamantyl Thioethers Characterized by Rotational Spectroscopy (ChemPhysChem 23/2023)	8
Electronic Properties of Transition and Alkaline Earth Metal Doped CuS: A DFT Study	8
Cover Feature: Background‐Free Detection of Spin‐Exchange Dynamics at Ultra‐Low Magnetic Field (ChemPhysChem 19/2023)	8
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Front Cover: Critical Assessment of pH‐Dependent Lipophilicity Profiles of Small Molecules: Which One Should We Use and In Which Cases? (ChemPhysChem 24/2023)	8
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The Interaction of Ether‐based Functionalized Ionic Liquids in Lithium‐Sulfur Batteries: A First‐Principles Study	8
A nuclear configuration interaction approach to study nuclear spin effects: an application to ortho‐ and para‐3He2@C60	8
Photo‐Responsive Behavior of Azobenzene Based Polar Hockey‐Stick‐Shaped Liquid Crystals	8
London Dispersion Effects on the Structure and Properties of Nonlinear Optical BiB3O6 Crystal	8
Impact of the Acetyl Group on Cysteine: A Study of N‐Acetyl‐Cysteine through Rotational Spectroscopy	8
Cucurbit[6]uril Hyperpolarized Chemical Exchange Saturation Transfer Pulse Sequence Parameter Optimization and Detectability Limit Assessment at 3.0T	8
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Cover Feature: Adiabat‐to‐Diabat Angle in Seam Space: Renner‐Teller‐Type and Pseudo‐Jahn‐Teller‐Type Problems (ChemPhysChem 11/2024)	8
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Effects of Intra‐Base Pair Proton Transfer on Dissociation and Singlet Oxygenation of 9‐Methyl‐8‐Oxoguanine−1‐Methyl‐Cytosine Base‐Pair Radical Cations	8
Aza‐Michael Addition in Explicit Solvent: A Relative Energy Gradient–Interacting Quantum Atoms Study	8
Electrografting of Carbon Surfaces with Aliphatic Chains and its Effect on the Rectification of Ferrocene as Redox Probe in Solution	8
Oxygen Adsorption, Absorption and Diffusion in FeCrNi Medium Entropy Alloy: An Ab Initio Study	8
Critical Assessment of pH‐Dependent Lipophilicity Profiles of Small Molecules: Which One Should We Use and In Which Cases?	8
Theoretical Screening of the Synergetic Effect of Dual‐Metal Atom Catalysts for Bifunctional ORR/OER	8
Probing the Electronic Structure of Prussian Blue and Analog Films by Photoemission and Electron Energy Loss Spectroscopies	8
Cooperative Chemotaxis of Magnesium Microswimmers for Corrosion Spotting	8
Comparison of Structural, Water‐Retaining and Sorption Properties of Acrylamide‐Based Hydrogels Cross‐Linked by Physical and Chemical Methods	8
Composites with Immobilized Bioactive Spirulina on an Inorganic Substrate (Yellow Clay, Hydroxyapatite, SiO2, TiO2, ZnO)	8
Branching‐Chain Propagation of Parahydrogen‐Derived Nuclear Spin Order on a Catalyst Surface	8
Structure‐Guided Evolution of Cyclohexanone Monooxygenase Toward Bulky Omeprazole Sulfide: Substrate Migration and Stereoselectivity Inversion	8
Cover Feature: Possibilities and Limitations of Kinetic Studies in On‐Surface Synthesis by Real Time X‐ray Photoelectron Spectroscopy (ChemPhysChem 11/2024)	8
Unveiling the Noncovalent Interaction of Thiazol‐2‐ylidene and Its Derivatives as N‐heterocyclic Carbene with Different Proton Donor Molecules	8
A DFT Investigation of B‐Doped C3N as Single Atom Electrocatalysts for N2‐to‐NH3 Conversion	8
Organometallic Allene [(μ‐C)(Fe(CO)4)2]: Bridging Carbon Showing Transformation from Classical Electron‐Sharing Bonding to Double σ‐Donor and Double π‐Acceptor Ligation	8
Tunable Gas‐Gas Reactions through Nanobubble Pathway	8
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Ab Initio Molecular Dynamics Study of H2 Dissociation Mechanisms on Cu13 and Defective Graphene‐supported Cu13 Clusters: Active Sites, Energy Barriers and Adsorption S	8
Impedance Response of a Thin Film on an Electrode: Deciphering the Influence of the Double Layer Capacitance	8
Bonding Interaction Within Concentric Structural Layers in Gold Superatoms. The Concentric Bond	7
A Benchmark Study of DFT‐Computed p‐Block Element Lewis Pair Formation Enthalpies Against Experimental Calorimetric Data	7
Studies on the Process of Basic Dyes Adsorption on Uniform Spherical Carbons	7
Comprehensive Theoretical View of the [Cu2O2] Side‐on‐Peroxo‐/Bis‐μ‐Oxo Equilibria	7
Assignment of a Physical Energy Scale for the Dimensionless Interaction Energies within the PRIME20 Peptide Model	7
Electrophoretic Deposition of Carbon‐Ionomer Layers on Proton Conducting Membranes	7
Cover Feature: Formation of Methanol via Fischer‐Tropsch Catalysis by Cosmic Iron Sulphide (ChemPhysChem 17/2024)	7
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Exploring the Adsorption and Reactions of Methyl Radicals on M(111) Surfaces (M=Cu, Ag, Au): A DFT Study	7
Theoretical study of NH3, H2S, and HCN adsorption enhancement on defective graphene‐supported Cu19 clusters	7
Voltammetric Behaviour of LMO at the Nanoscale: A Map of Reversibility and Diffusional Limitations	7
DFT Study of the Mechanism of Selective Hydrogenation of Acetylene by Rhodium Single‐Atom Catalyst Supported on HY Zeolite	7
Revisiting Numerical Solutions of Weakly Bound Noble Gases’ Vibrational Energy Levels Modeled by the Improved Lennard‐Jones Potential	7
Electron Attachment to the Nucleobase Uracil in Diethylene Glycol: The Signature of a Doorway	7
Phosphide‐Based Electrocatalysts for Urea Electrolysis: Recent Trends and Progress	7
Electrochemical Studies of SrTiO3/Reduced Graphene Oxide Composite For High‐Power Energy Storage and Oxygen Evolution Reaction Applications	7
Two‐Step Reduction Pathway of Copper(II) by Oleylamine for the Nucleation of Cu(0) Nanoparticles: A Joint Modelling and Experimental Study	7
Velocity Map Imaging Photoelectron Spectroscopy of Silver Iodide Aerosol Particles	7
Quantification of the Donor‐Acceptor Character of Ligands by the Effective Fragment Orbitals	7
High‐level ab initio evidence of bipyramidal Cu5 clusters as fluxional Jahn‐Teller molecules	7
An Algebraic Blueprint for Predicting Turnover Numbers and Endpoints in Photocatalysis	7
A Hidden Chemical Assembly Mechanism: Reconstruction‐by‐Reconstruction Cycle Growth in HKUST‐1 MOF Layer Synthesis	7
The Electronic Spin State of Diradicals Obtained from the Nuclear Perspective: The Strange Case of Chichibabin Radicals	7
Doping‐Induced Enhancement of Hydrogen Evolution at MoS2 Electrodes	7
Front Cover: An Algebraic Blueprint for Predicting Turnover Numbers and Endpoints in Photocatalysis (ChemPhysChem 3/2024)	7
Structure and Dynamics in Solid Electrolyte Composites of the Organic Ionic Plastic Crystal HMGFSI and Lithium Sulphonamide Functional Acrylate Polymer Nanoparticles	7
Nanobubbles in Ultrapure Water Can Self‐Propel	7
Improved Conductivity and in Situ Formed Heterojunction via Zinc Doping in CuBi2O4 for Photoelectrochemical Water Splitting	7
Electrocatalytic and Photocatalytic Reduction of Carbon Dioxide by Earth‐Abundant Bimetallic Molecular Catalysts	7
Dynamics of pH Oscillators in Continuous Stirred Tanks in Series	7
Platinum‐Iridium Alloy Nanoparticle Coatings Produced by Electrophoretic Deposition Reduce Impedance in 3D Neural Electrodes	7
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Synthesis and Characterization of N‐Doped Carbon Quantum Dots and its Application for Efficient Delivery of Curcumin in Live Cell	7
A Rotational Study of 2‐tert‐Butylphenol and Its 1 : 1 Argon Complex	7
Homogeneous Dephasing in Photosynthetic Bacterial Reaction Centers: Time Correlation Function Approach	7
Thermoelectric Performance of Hybrid Inorganic/Organic Composites Based on PEDOT:PSS/Tin(II) Oxide	7
Janus Cr2BN Monolayer with Ferroelectricity and Room‐Temperature Ferromagnetism	7