ChemPhysChem

Papers
(The median citation count of ChemPhysChem is 1. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2022-05-01 to 2026-05-01.)
ArticleCitations
The Bond Energy of the Carbon Skeleton in Polyaromatic Halohydrocarbon Molecules112
Cover Feature: Deciphering Mg‐Surface Interactions with Unsaturated Hydrocarbons: An Integrated Experimental‐Theoretical Study (ChemPhysChem 7/2025)105
Excited State Assignment and State‐Resolved Photoelectron Circular Dichroism in Chalcogen‐Substituted Fenchones84
Revisiting CN Formation Mechanisms in Electron Collisions with Benzonitrile48
Exploring the Reaction Mechanism of Methanol Steam Reforming on CuZn 3 O 3 Cluster: A Density Func44
Bioinspired Hybrid Polymeric Microspheres with Fractionated Lignin: Advanced Sorbents for Tetracycline Removal from Aqueous Media39
The Steady‐State ALTADENA RASER Generates Continuous NMR Signals38
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An Algebraic Blueprint for Predicting Turnover Numbers and Endpoints in Photocatalysis36
Elucidating the Mechanism of Simultaneous Activation of CH4 and CO2 Mediated by Single Group 10 Metal Anions in Gas Phase34
Cover Feature: Increasing Complexity in Adamantyl Thioethers Characterized by Rotational Spectroscopy (ChemPhysChem 23/2023)34
Coadsorption of ZnTPP and 2HMCTPP on Rutile TiO2(110)31
Cover Feature: Energetics of Sulfur‐Carbon Interaction (ChemPhysChem 24/2022)31
Front Cover: An Algebraic Blueprint for Predicting Turnover Numbers and Endpoints in Photocatalysis (ChemPhysChem 3/2024)31
Thermal Isomerization Rates of New Azoquinoline‐Functionalized Copolymers as a Function of Substitution Patterns30
Substituent Effect of Superhalogens on the Metallodrug IMeAuCl: A DFT Study30
The Interaction of Ether‐Based Functionalized Ionic Liquids in Lithium–Sulfur Batteries: A First‐Principles Study29
Cover Feature: Overcoming Challenges in Density Functional Theory‐Based Calculations of Hyperfine Coupling Constants for Heavy Heteroatom Radicals (ChemPhysChem 10/2025)29
Cover Feature: Rare Spin Avoided σ‐σ Diradical Planar Tetracoordinate Boron Cluster: A Proto‐Star for Planar Pentacoordination (ChemPhysChem 18/2023)28
Front Cover: Transitions of Collective Motions Driven by Phase Resetting (ChemPhysChem 12/2023)27
The Hunter Falls Prey: Photoinduced Oxidation of C60 in Inclusion Complex with Perfluorocycloparaphenylene25
Cover Feature: Background‐Free Detection of Spin‐Exchange Dynamics at Ultra‐Low Magnetic Field (ChemPhysChem 19/2023)24
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Homogeneous Dephasing in Photosynthetic Bacterial Reaction Centers: Time Correlation Function Approach23
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Nanobubbles in Ultrapure Water Can Self‐Propel23
A nuclear configuration interaction approach to study nuclear spin effects: an application to ortho‐ and para‐3He2@C6022
Dissociation of N2 on a Si(111)‐7x7 Surface at Room Temperature22
Cluster Amplitudes and Their Interplay with Self‐Consistency in Density Functional Methods22
Cover Feature: Optical Physical Mechanisms of Helicene Carbon Nanohoop with Möbius Topology (ChemPhysChem 8/2023)21
Front Cover: Binding Energy Partition of Promising IRAK‐4 Inhibitor (Zimlovisertib) for the Treatment of COVID‐19 Pneumonia (ChemPhysChem 24/2022)21
Cover Feature: Low‐boiling Point Perfluorocarbon Nanodroplets as Dual‐Phase Dual‐Modality MR/US Contrast Agent (ChemPhysChem 24/2022)21
Revisiting the TCNQF40/1−/2− Catalysis Mechanism for the [Fe(CN)6]3−/4−‐S2O32−/S4O62− Redo21
Combined Modelling of Triply Paired Electronic States of HO2+ ion with 3 Symmetry using Coupled Eigen Model21
Efficient and Accurate Description of Diels‐Alder Reactions Using Density Functional Theory**20
Front Cover: Dissociation of N2 on a Si(111)‐7x7 Surface at Room Temperature (ChemPhysChem 15/2023)20
A Density Functional Benchmark for Dehydrogenation and Dehalogenation Reactions on Coinage Metal Surfaces20
Assignment of a Physical Energy Scale for the Dimensionless Interaction Energies within the PRIME20 Peptide Model19
Innovative Sustainable Cellulose Pulp From Lygeum spartum and Recycled Paper: Development and Characterization19
Improved Conductivity and in Situ Formed Heterojunction via Zinc Doping in CuBi2O4 for Photoelectrochemical Water Splitting19
N, S Co‐Doped Carbon Nanotubes Loaded With Cu Nanoclusters For Efficient Oxygen Reduction Reaction19
Charge‐transfer Adducts vs Iodine(I) Complexes: Dual Role of Halogen Bonding in Reactions of Diiodine with N‐donor Bases19
Nitrogen and Sulfur Doped Porous Carbon Sheet with Trace Amount of Iron as Efficient Polysulfide Conversion Catalyst for High Loading Lithium‐Sulfur Batteries19
Molecular Oxygen Trimer: Multiplet Structures and Stability19
Prediction of M3B4‐type MBenes as Promising Catalysts for CO2 Capture and Reduction19
Adducing Knowledge Capabilities of Instrumental Techniques Through the Exploration of Heterostructures’ Modification Methods19
Redox Properties and in Vivo Magnetic Resonance Imaging of Cyclodextrin‐Polynitroxides Contrast Agents18
On the Solvation Properties of Menthol‐Thymol Mixtures. A Molecular Dynamics Investigation18
Relationship between Phase Behavior and Conductivity of Imidazolium‐Based Ionic Liquids with Dicyanamide Anion18
Comparison of Structural, Water‐Retaining and Sorption Properties of Acrylamide‐Based Hydrogels Cross‐Linked by Physical and Chemical Methods18
Will Nontoxic High‐Performance Perovskite Photovoltaics Ever Be Possible?18
Electronic and Nonlinear Optical Properties of B(III)‐Submonoazaporphyrin‐π‐Diimide Compounds: A Density Functional Theory Study18
Converting Second‐Order Saddle Points to Transition States: New Principles for the Design of 4π Photoswitches17
Scattering of NO Molecules from a Graphite Surface: Selectivity of the Rotational Excitation by Inelastic Collisions17
Preferential Solvation by Trifluoroethanol Drives α ‐Helical Folding in the Disordered S2 Region of the Escargot Protein17
Branching‐Chain Propagation of Parahydrogen‐Derived Nuclear Spin Order on a Catalyst Surface17
Predicting a New Δ‐Proton Sponge‐Base of 4,12‐Dihydrogen‐4,8,12‐triazatriangulene through Proton Affinity, Aromatic Stabilization Energy, and Aromatic Magnetism17
Carbon Dioxide Reduction on Transition Metal Dichalcogenides with Ni and Cu Edge Doping: A Density‐Functional Theory Study17
Nonadiabatic Photodynamics of Amantadine and 1‐Cyanoadamantane Cations17
Accurate Geometry and Non‐Covalent Interactions in 1‐Phenylethanol and its Monohydrate: A Rotational Study17
Elaborating the Fluorescence Regulation and Quenching Mechanism of Sulfur‐for‐Oxygen Replacement for Fluorophores17
Adaptive Pruning for Increased Robustness and Reduced Computational Overhead in Gaussian Process Accelerated Saddle Point Searches16
High‐Performance Mo‐CoS2 Nanoplates Derived from Metal‐Organic Frameworks for Asymmetric Supercapacitor Applications16
Probing Composition Effects on the Intrinsic Energetics of Proton Transfer in Binary (HCl) m (H 16
Data‐Efficient Active Learning for Thermodynamic Integration: Acidity Constants of BiVO4 in Water16
Adsorption of Carbamazepine in All‐Silica Zeolites Studied with Density Functional Theory Calculations**16
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Applications of Inorganic Hybrid Rare‐Earth Materials in Biological Diagnostics, X‐Ray Imaging, and Lighting Display16
Studies of the Catalytic Activity of New Nickel(II) Compounds Containing Pyridine Carboxylic Acids Ligands in Oligomerization Processes of Selected Olefins and Cyclohexyl Isocyanide16
Vibrational Sum Frequency Generation Spectra of Water‐Vapor Interfaces Covered by Alcohols: Effects of Surface Coverage and Coupling between Oscillators15
When Dihedral Angles Mask Denticity in Molecular Conductance15
Electrochemical NH‐Sulfoximidation with α‐Keto Acids15
Neuromorphic Liquids, Colloids, and Gels: A Review15
Broad‐Spectrum Diffusion Coefficient Measurements via Surface Plasmon Resonance: From Thermodynamics to Protein Conformational Disorders15
Concentration Effect, Structural Properties, and Driving Force on Aβ28 Dimerization with and without Zn2+ Cooperation: Learning from Replica Exchange Sampling**15
Nanoparticulate Co‐doped CuO/Multiwalled Carbon Nanotubes Composite for Dopamine15
Structure and Dynamics of Imidazolium in an Ionic Liquid‐PEGDA Iongel via IR, 2D‐IR, and NMR Spectroscopy15
Theoretical Study on the H‐Atom Abstraction Reactions of Three Linear Pentanol Isomers + HȮ 2 Radical15
Revisiting Numerical Solutions of Weakly Bound Noble Gases’ Vibrational Energy Levels Modeled by the Improved Lennard‐Jones Potential15
The Importance of Reaction Energy in Predicting Chemical Reaction Barriers with Machine Learning Models15
Cover Feature: Adaptive Pruning for Increased Robustness and Reduced Computational Overhead in Gaussian Process Accelerated Saddle Point Searches (ChemPhysChem 4/2026)15
Hydrogels May Not Always Absorb Water: Strategies to Achieve Antiswelling and Negative Swelling15
Resolving the Puzzling Observations in Trapping Dynamics of Polystyrene and Silica Microparticles Under Femtosecond Pulsed and Continuous‐Wave Excitations15
Computational Study of Carbon Dioxide Capture by Tertiary Amines15
Light‐Induced Transformation of a Supramolecular Gel to a Stronger Covalent Polymeric Gel14
Tricyclic 1,4‐Diphosphinines: Local vs. Global Aromaticity14
Photocatalytic Hydrogen Production Activity and Mechanism of New Nickel‐Based Sulfur Complexes in Aqueous Solution14
Directly Bound Deuterons Increase X‐Nuclei Hyperpolarization using Dynamic Nuclear Polarization14
Band Structure Engineering of Single Pt Atoms on Fe−TiO2 for Enhanced Photocatalytic Performance14
Galvanostatic Fast Charging of Alkali‐Ion Battery Materials at the Single‐Particle Level: A Map‐Driven Diagnosis14
3D‐Printed Fe‐Ni Porous Framework Structures for Efficient and Recyclable Degradation of Azo Dyes in Wastewater14
Rationalizing Aggregate Structures with Orbital Contributions to the Exchange‐Repulsion Energy**14
Linear and Two‐Dimensional Infrared Spectroscopy of the Multifunctional Vibrational Probe, 3‐(4‐Azidophenyl) Propiolonitrile. Deperturbing a Fermi Triad by Isotopic Substitution14
Deciphering the Role of Substitution in Transition‐Metal Phosphorous Trisulfide (100) Surface: A Highly Efficient and Durable Pt‐free ORR Electrocatalyst14
Going from Pt to PGM‐free Catalysts: Effects of Ink Compositions on PEM Water Electrolysis13
Possibilities and Limitations of Kinetic Studies in On‐Surface Synthesis by Real Time X‐ray Photoelectron Spectroscopy13
Using Lateral Substitution to Control Conformational Preference and Phase Behaviour of Benzanilide‐based Liquid Crystal Dimers13
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Investigating Possible Dipole‐Bound States of Cyanopolyynes: the Case for the C5N Anion Detected in Interstellar Space13
Cover Feature: OH Radical‐Induced Oxidation in Nucleosides and Nucleotides Unraveled by Tandem Mass Spectrometry and Infrared Multiple Photon Dissociation Spectroscopy (ChemPhysChem 23/2023)13
Cover Feature: Activity‐Based Models to Predict Kinetics of Levulinic Acid Esterification (ChemPhysChem 4/2023)13
Cover Feature: Rotation‐Inversion Isomerization of Tertiary Carbamates: Potential Energy Surface Analysis of Multi‐Paths Isomerization Using Boltzmann Statistics (ChemPhysChem 1/2023)13
Front Cover: Blueshift in Trifurcated Hydrogen Bonds: A Tradeoff between Tetrel Bonding and Steric Repulsion (ChemPhysChem 1/2024)13
Vibrational Features of Oxyamines: A Comparative Study of N,N‐Diethylhydroxylamine and N,N‐Diethylacetyloxyamine13
Cover Feature: Controlling Chirogenic Effects in Porphyrin Based Supramolecular Systems: Theoretical Analysis Versus Experimental Observations (ChemPhysChem 11/2024)13
Understanding the CO2 Activation and Hydrogenation Mechanism on MXene under Electrochemical Conditions13
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)13
Protonation Effects on the Benzoxazine Formation Pathways and Products Distribution12
Interfacial Coupling of Graphene with Nickel Nanoparticles for Water Splitting and Urea Oxidation: A Spectroelectrochemical Investigation12
Simulation of Hydrogen Adsorption in Hierarchical Silicalite: Role of Electrostatics and Surface Chemistry12
Luminescence Mechanisms of Quaternary Zn−Ag−In−S Nanocrystals: ZnS:Ag, In or AgInS2:Zn?12
Molecular‐Level Insight into the Chlorofluorocarbons Adsorption by Defective Covalent Organic Polymers12
Cover Feature: A Magnetocaloric Glass from an Ionic‐Liquid Gadolinium Complex (ChemPhysChem 12/2022)12
New Prediction Model of Surface and Interfacial Energies Based on COSMO‐UCE**12
Corrigendum: Protonation Effects on the Benzoxazine Formation Pathways and Products Distribution12
Electron and Spin Delocalization in [Co6Se8(PEt3)6]0/+1 Superatoms12
Electronic Excitation Transfer Dynamics in a 3‐Site System Using an Incoherent Born‐Markov Rate Model12
Shrinking Devices: Shape‐Memory Polymer Fabrication of Micro‐and Nanostructured Electrodes12
Volcano‐like Activity Trends in Au@Pd Catalysts: The Role of Pd Loading and Nanoparticle Size12
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)12
A Tug of War between the Self‐ and Cross‐associating Hydrogen Bonds in Neutral Ammonia‐Water Clusters: Energetic Insights by Molecular Tailoring Approach12
Solvent Effects on the 1H‐NMR Chemical Shifts of Imidazolium‐Based Ionic Liquids12
Aromaticity and Antiaromaticity Reversals between the Electronic Ground State and the Two Lowest Triplet States of Thiophene12
Quantum Dynamics of O(3P)+HBr→OH+Br Reaction: Integral Cross Sections and Rate Constants and their Initial State Dependence12
Front Cover: Length‐Dependent Collective Vibrational Dynamics in Alpha‐Helices (ChemPhysChem 12/2022)12
6‐Endo‐dig versus 5‐exo‐dig: Exploring Radical Cyclization Preference with First‐, Second‐, and Third‐row Linkers using High‐level Quantum Chemical Methods12
The Solute Polarization and Structural Effects on the Nonlinear Optical Response of Based Chromone Molecules11
Catalytic NO Reduction by NO Pre‐Adsorbed RhCeO2NO Clusters11
Properties of Bisdiazo Compounds and Their Derived Carbenes via Density Functional Theory11
Evidence for Anion‐Anion Interaction in Amino Acid Ionic Liquids Probed by Far‐Infrared Spectroscopy11
An Automatic Pathway Searching Strategy in Enzyme Catalysis: A Case Study of Lm CpfC11
Front Cover: Application of Exciton Coupling for Characterization of Nanographene Edge (ChemPhysChem 5/2024)11
Does Chiral Sensitivity of a Structure Depend on the Metal Core? Alkali Ion Complexes of Cyclo(Tyr‐Tyr)11
Theoretical Prediction of Enhanced Hydrogen Evolution Reaction Electrocatalysts Based on Tantalum Phosphide11
Cover Feature: In Silico Screening of CO2‐Dipeptide Interactions for Bioinspired Carbon Capture (ChemPhysChem 4/2025)11
Theoretical Rotational and Vibrational Spectral Data for the Hypermagnesium Oxide Species Mg2O and Mg2O+11
Using Energetic Information Quantities from Density Functional Theory to Simultaneously Identify Both Covalent and Noncovalent Interactions11
Photodetachment of Deprotonated R‐Mandelic Acid: The Role of Proton Delocalization on the Radical Stability11
Angle‐Dependent Raman Spectra of Crystal Polymorphs of GaO: A Computational Study11
Identifying Exchangeable Protons in a 1D NMR Spectrum by Spatially Selective Exchange‐Editing11
Cr2O3 Promoted In2O3 Catalysts for CO2 Hydrogenation to Methanol11
Metallofullertube: From Tubular Endohedral Structures to Properties11
Theoretical Study on B‐doped FeN4 Catalyst for Potential‐Dependent Oxygen Reduction Reaction11
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Role of Triplet States in the Photolysis of Proteogenic Amino Acids11
Equiatomic binary phases of Copper‐Rare Earth Elements. An overview of monocuprides from first‐principles calculations11
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Near‐infrared Piezochromic Materials at High Pressure11
Acidity of Isomorphic Substituted Zeolites with B, Al and Ga Revisited11
Single Atom Sites in Ga‐Ni Supported Catalytically Active Liquid Metal Solutions (SCALMS) for Selective Ethylene Oligomerization11
Adsorption Structures, Vibrational Raman Spectra and Chemical Binding Properties of Thioglycolic Acid on Cu(111) Surfaces: A DFT Study11
Interpretable Machine Learning Models for Practical Antimonate Electrocatalyst Performance11
Bayesian Optimization for Efficient Prediction of Gas Uptake in Nanoporous Materials11
Low‐Energy Elastic Scattering of Electrons from 2H‐Pyran and 4H‐Pyran with Time Delay Analysis of Resonances11
Relativistic Density Functional NMR Tensors Analyzed with Spin‐free Localized Molecular Orbitals11
The Rivalry between Intramolecular Tetrel Bonds and Intermolecular Hydrogen Bonds in (O−Si) Chelates of N‐Silylmethylamides and ‐ureas. A Theoretical Study11
The σ+π dual aromaticity of typical bi‐tetrazole ring molecule TKX‐5011
Rotation‐Inversion Isomerization of Tertiary Carbamates: Potential Energy Surface Analysis of Multi‐Paths Isomerization Using Boltzmann Statistics11
Cover Feature: Disentangling the Conformational Space and Structural Preferences of Tetrahydrofurfuryl Alcohol Using Rotational Spectroscopy and Computational Chemistry (ChemPhysChem 12/2024)11
Reaction Kinetics of the Benzylation of Adenine in DMSO: Regio‐Selectivity Guided by Entropy11
Mechanisms of Complete Dissociation of CO2 on Iron Clusters11
Progress and Perspectives of Lithium Isotope Separation10
Extractive Mass Transfer of Zr(IV) into a Hydrophobic Ionic Liquid Medium Containing Diglycolamide Extractant: Solvent Extraction and Spectroscopic Analysis10
On the Nature of the Out‐of‐Plane Distortions in Subporphyrins10
Toward Rational Design of Mononuclear Nickel Complexes as Water Oxidation Catalysts Exploring the Ligand Effects on the Rate‐Determining Step10
Low‐Cost Periodic Calculations of Metal‐Organic Frameworks: A GFN1‐xTB Perspective10
Interplay of Solvation Dynamics and Ion Transport in Concentrated LiFSA–Sulfone Electrolytes10
Controlling the Nature of Photoluminescence of Emissive Metal Nanoclusters10
What Makes a Designer Solvent Efficient for Capturing Volatile Organic Compounds?—A Molecular Perspective10
PHRONESIS: A One‐Shot Approach for Sequential Assignment of Protein Resonances by Ultrafast MAS Solid‐State NMR Spectroscopy10
CORRIGENDUM: Molecular Oxygen Trimer: Multiplet Structures and Stability10
Plasmon Mediated Electron Transfer and Temperature Dependent Electron‐Phonon Scattering in Gold Nanoparticles Embedded in Dielectric Films10
Reaction Cycle of Operating Pump Protein Studied with Single‐Molecule Spectroscopy**10
Tailored Porous Transport Layers for Optimal Oxygen Transport in Water Electrolyzers: Combined Stochastic Reconstruction and Lattice Boltzmann Method10
Quantitative Descriptions of Dewar‐Chatt‐Duncanson Bonding Model: A Case Study of Zeise and Its Family Ions10
Computational Modeling: Up‐to‐Date Approaches and Cutting‐Edge Applications from Clusters, Nanostructures to Bulk Systems10
Thermal Properties of MXenes and Relevant Applications10
Highly Efficient and Chemoselective Tandem Hydroformylation‐Hydrogenation of Alkenes to Alcohols over g‐CN Supported Bimetallic Rh and Co Nanoparticles Catalysts10
On the Catalytic Performance of (ZrO)n (n=1–4) Clusters for CO Oxidation: A DFT Study10
The Hydrogen Evolution Activity of BaZrS 3 , BaTiS 3 , and BaVS 3 10
Photoelectron Photoion Coincidence Spectroscopy of Biradicals10
Structural, Magnetic, and Optical Properties of Sol–Gel Synthesized Fe‐Doped NiO Nanoparticles with Tunable Fluorescence Toward Acridine Orange10
Cation‐lone Pair Interaction in Alkali/Alkaline Earth Metal Ion‐Heavier Borazine Analogue Complexes10
Interfacial Electronic Structure Engineering of NiCo2Se4 and NiTe2 Nanorods for Enhanced Hydrogen Evolution Reaction10
Organic Supercapacitors as the Next Generation Energy Storage Device: Emergence, Opportunity, and Challenges10
Retaining Hückel Aromaticity in the Triplet Excited State of Azobenzene10
On the Vapor Pressures, Phase Transitions, and Solid‐State Fluorescence of 2‐(2‐Hydroxyphenyl)benzoxazole and 2‐(2‐Hydroxyphenyl)benzothiazole9
Sustained Synthesis of Ultra‐Long Gold Wires via an Open Microfluidic System9
Approaching the Lower Temporal Limit of Laser‐Produced Plasma Sources for Table‐Top Soft X‐Ray NEXAFS Measurements9
Cover Feature: Vibrationally Resolved Inner‐Shell Photoexcitation of the Molecular Anion C2 (ChemPhysChem 11/2023)9
Microkinetic Modelling of Electrochemical Oxygen Evolution Reaction on Ir(111)@N‐Graphene Surface9
Cover Feature: Combining Open‐Shell Verdazyl Environment and Co(II) Spin‐Crossover: Spinmerism in Cobalt Oxoverdazyl Compound (ChemPhysChem 9/2022)9
Constructing Potential Energy Surface with Correlated Theory for Dipeptides Using Molecular Tailoring Approach9
Lutidyl Radical Photoelectron Spectra Reveal Additive Substituent Effects on Benzyl Derivatives’ Ionization Energy9
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Theoretical Simulations of Kinetic Isotope Effects on Decarboxylation of 3‐Carboxybenzisoxazole9
Cover Feature: Dynamics of Citrate Coordination on Gold Nanoparticles Under Low Specific Power Laser‐Induced Heating (ChemPhysChem 7/2023)9
Concentration‐Gradient Structural LiFe0.5Mn0.5PO4/C Prepared via Co‐precipitation Reaction for Advanced Lithium‐Ion Batteries9
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Low‐Viscosity Concentrated Lithium Chloride Solution with Unsymmetrical Ditopic Receptors in Organic Solvents9
Front Cover: Use of 5,10‐Disubstituted Dibenzoazaborines and Dibenzophosphaborines as Cyclic Supports of Frustrated Lewis Pairs for the Capture of CO2 (ChemPhysChem 18/2022)9
High Sensitivity Stimulated Raman Scattering Microscopy with Electronic Resonance Enhancement9
A Case Study on the Use of Binding Free Energies to Screen Inhibitors of Human Carbonic Anhydrase II9
Unraveling the Mechanism of Oxygen Electrocatalysis on Transition Metal‐Free Single‐Atom‐Doped Holey Graphyne9
Porous Mn2+ Magnet with a Pt−Cl Framework: Correlation between Water Vapor Adsorption/Desorption and Slow Magnetic Relaxation9
Noble Metal‐Free Inorganic Photocatalyst Consisting of Antimony‐Doped Tin Oxide Nanorod and Titanium oxide for Two‐Electron Oxygen Reduction Reaction9
Investigating the Role of UiO‐68 Supported N‐Heterocyclic Carbene‐Based Metal‐Hydrides for CO Hydrogenation to Methanol9
Azo‐Cyanamide Bridged Dinuclear Iron Complexes Exhibiting no Electronic Coupling but Moderate Magnetic Coupling between the two Iron Centers9
Optimizing Extended Tight‐Binding Methods for Metal‐Surface Interactions9
NMR Self‐Diffusion and Transverse Relaxation Time in Bitumen: The Effect of Aging9
Cover Feature: Catalytic Deactivation and Regeneration of Nickel Microparticles in a Home‐Built Microchannel‐Coupled Millireactor: Substrate Specificity and Multiphase Flow Dependency (ChemPhysChem 149
Strategies and Challenges of Utilizing Cation Effects in Membrane Electrode Assemblies for CO2 Reduction9
Electron interaction with DNA constituents in aqueous phase9
Computational Energy Spectra of the H2O@C70 Endofullerene9
Mononuclear Molybdenum and Tungsten Phosphine Complexes for Catalytic Ammonia Synthesis: Development of the pentaPod Concept9
The Negative Solvatochromism of Reichardt‘s Dye B30 – A Complementary Study9
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Hydrogen Peroxide‐Induced Overoxidation of Fe−N−C Catalysts: Implications for ORR Activity9
Ab Initio Study of H‐Bond Dynamics in Three‐Component Crystals Comprising (DABCOH+)n Polycationic Chains9
Phase Diagrams of Anthracene Derivatives in Pyridinium Ionic Liquids9
Regulating Efficient and Selective Single‐atom Catalysts for Electrocatalytic CO2 Reduction9
Statistically Derived Proxy Potentials Accelerate Geometry Optimization of Crystal Structures9
Binding Energy Partition of Promising IRAK‐4 Inhibitor (Zimlovisertib) for the Treatment of COVID‐19 Pneumonia9
Front Cover: Development of a Core–Shell Heterojunction TiO2/SrTiO3 Electrolyte with Improved Ionic Conductivity (ChemPhysChem 11/2022)9
Recent Progress on CoP as Anodes for Metal–Ion Batteries9
Post‐CCSD(T) Thermochemistry of Chlorine Fluorides as a Challenging Test Case for Evaluating Density Functional Theory and Composite Ab Initio Methods9
Photoinduced Anisotropy in Thin Films of Azobenzene‐Containing Liquid Crystalline Supramolecular Complexes of Various Polymer Architecture9
Confinement Dynamics of Nanodroplets between Two Surfaces: Effects of Wettability and Electric Field9
Understanding the Reactivity of Supported Late Transition Metals on a Bare Anatase (101) Surface: A Periodic Conceptual DFT Investigation8
Resonances at Fundamental and Harmonic Frequencies for Selective Imaging of Sine‐Wave Illuminated Reversibly Photoactivatable Labels8
A DNA Scaffold Approach Facilitates 5′ Labeling of the SARS‐CoV‐2 RNA Pseudoknot for Single‐Molecule Förster Resonance Energy Transfer Investigation8
Fracture Mechanism of Nanocomposite of Metal and Graphene with Defect Pores8
Radial Behavior of Electrostatic Potentials of Atoms and Ions Revisited: Isotropy and Anisotropy8
Photocatalytic Z‐scheme Overall Water Splitting: Insight into Different Optimization Strategies for Powder Suspension and Particulate Sheet Systems8
Chromogenic Chemosensor for Simultaneous Detection of PO43− and CO32− Anions in Organo‐Aqueous Solutions: Application in Arduino Based Electronic Color Sens8
The Effect of Lipopolysaccharides on the Electrostatic Properties of Gram‐Negative General Porins from Enterobacteriaceae8
Unveiling Eco‐Friendly Reverse Micelle Systems: Dimethyl Carbonate as a Novel Biocompatible Solvent8
Cover Feature: Self‐Consistent Convolutional Density Functional Approximations: Application to Adsorption at Metal Surfaces (ChemPhysChem 10/2024)8
Corrosion Inhibition of Mild Steel by Coumarate‐Based Ionic Liquids and Coatings8
Laurdan: Clarifying Photophysics and Advancing the Characterization of Extracellular Vesicles8
Comprehensive Study of Ti and Ta Co‐Doping in Ni‐Rich Cathode Material LiNi0.8Mn0.1Co0.1O2 Towards Improving the Electrochemical Performance8
Stoichiometric‐Ratio‐Controlled Fe and Ni Non‐Noble Metal Catalysts Supported on γ‐Al2O3 for Turquoise Hydrogen and Carbon Nanotubes Production8
Cover Feature: Comprehensive Theoretical View of the [Cu2O2] Side‐on‐Peroxo‐/Bis‐μ‐Oxo Equilibria (ChemPhysChem 14/2022)8
Blueshift in Trifurcated Hydrogen Bonds: A Tradeoff between Tetrel Bonding and Steric Repulsion8
Oxygen‐Dependent Photoluminescence and Electrical Conductance of Zinc Tin Oxide (ZTO): A Modified Stern‐Volmer Description8
A New Way to Use Hydrophobic Deep Eutectic Solvents: Improved Lead Detection Using an Ion‐Selective Electrode with a Polymer Membrane Modified by them8
Impact of Top Electrodes (Cu, Ag, and Al) on Resistive Switching behaviour of Cu‐rich Cu2ZnSnS4 (CZTS) Ideal Kesterite8
Cover Feature: Molecular Dynamics in Tetrafluoridoborate Salts of Divalent Metals Studied by Nuclear Magnetic Resonance Spectroscopy (ChemPhysChem 5/2026)8
Navigating Antibiotic Resistance in Gram‐Negative Bacteria: Current Challenges and Emerging Therapeutic Strategies8
Prediction of Feasibility of Polaronic OER on (110) Surface of Rutile TiO28
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