ChemPhysChem

Papers
(The TQCC of ChemPhysChem is 4. 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 2020-04-01 to 2024-04-01.)
ArticleCitations
The Bouguer‐Beer‐Lambert Law: Shining Light on the Obscure190
An Extensive Set of Accurate Fluoride Ion Affinities for p‐Block Element Lewis Acids and Basic Design Principles for Strong Fluoride Ion Acceptors146
Multiple Polar and Non‐polar Nematic Phases63
Ultrastrong Regulation Effect of the Electric Field on the All‐Carboatomic Ring Cyclo[18]Carbon**62
Anion⋅⋅⋅Anion Interactions Involving σ‐Holes of Perrhenate, Pertechnetate and Permanganate Anions60
Multivalent ions and biomolecules: Attempting a comprehensive perspective49
Chemistry in Times of Artificial Intelligence46
Singlet‐Triplet Excited‐State Inversion in Heptazine and Related Molecules: Assessment of TD‐DFT and ab initio Methods45
Graphene‐Based Antimicrobial Biomedical Surfaces45
Synthesis of Metastable Inorganic Solids with Extended Structures41
Loading Copper Atoms on Graphdiyne for Highly Efficient Hydrogen Production40
Multidimensional Lewis Acidity: A Consistent Data Set of Chloride, Hydride, Methide, Water and Ammonia Affinities for 183 p‐Block Element Lewis Acids39
Molecular Dynamics Simulation of Small Molecules Interacting with Biological Membranes37
Can Counter‐Intuitive Halogen Bonding Be Coulombic?33
Long‐Lived Triplet Excited State Accessed with Spin–Orbit Charge Transfer Intersystem Crossing in Red Light‐Absorbing Phenoxazine‐Styryl BODIPY Electron Donor/Acceptor Dyads32
Order‐Unity 13C Nuclear Polarization of [1‐13C]Pyruvate in Seconds and the Interplay of Water and SABRE Enhancement31
Anion⋅⋅⋅Anion Attraction in Complexes of MCl3 (M=Zn, Cd, Hg) with CN31
Influence of Hydration on the Structure and Interactions of Ethaline Deep‐Eutectic Solvent: A Spectroscopic and Computational Study30
Heterogeneous Catalysis and Parahydrogen‐Induced Polarization30
Recent Developments in Plasmonic Alloy Nanoparticles: Synthesis, Modelling, Properties and Applications30
Theoretical Insights into Specific Ion Effects and Strong‐Weak Acid‐Base Rules for Ions in Solution: Deriving the Law of Matching Solvent Affinities from First Principles28
Probing the Brønsted Acidity of the External Surface of Faujasite‐Type Zeolites28
Determining the Diffusion Coefficient of Lithium Insertion Cathodes from GITT measurements: Theoretical Analysis for low Temperatures**28
Twist‐Bend Nematic Glasses: The Synthesis and Characterisation of Pyrene‐based Nonsymmetric Dimers28
Molecular and Spectroscopic Characterization of Green and Red Cyanine Fluorophores from the Alexa Fluor and AF Series**26
Crystallographic and Theoretical Evidences of Anion⋅⋅⋅Anion Interaction26
Biocomputing Based on DNA Strand Displacement Reactions25
Interactions and Transport in Highly Concentrated LiTFSI‐based Electrolytes25
Computation of Electromagnetic Properties of Molecular Ensembles25
Beyond Beer's Law: Revisiting the Lorentz‐Lorenz Equation25
Non‐Bonded Radii of the Atoms Under Compression24
Transformation of Metallic Ti to TiH2 Phase in the Ti/MgH2 Composite and Its Influence on the Hydrogen Storage Behavior of MgH224
Noncovalent Bonds between Tetrel Atoms24
Change of Quadrupole Moment upon Excitation and Symmetry Breaking in Multibranched Donor‐Acceptor Dyes23
Radical‐Enhanced Intersystem Crossing in a Bay‐Substituted Perylene Bisimide−TEMPO Dyad and the Electron Spin Polarization Dynamics upon Photoexcitation**23
Computational Screening of 3 d Transition Metal Atoms Anchored on Defective Graphene for Efficient Electrocatalytic N2 Fixation22
DNA‐Origami‐Based Assembly of Au@Ag Nanostar Dimer Nanoantennas for Label‐Free Sensing of Pyocyanin22
Electrocatalytic and Photocatalytic Reduction of Carbon Dioxide by Earth‐Abundant Bimetallic Molecular Catalysts21
Towards Adsorptive Enrichment of Flavonoids from Honey Using h‐BN Monolayer21
Hyperpolarized 13C Magnetic Resonance Imaging of Fumarate Metabolism by Parahydrogen‐induced Polarization: A Proof‐of‐Concept in vivo Study21
Insulating Polymers as Additives to Bulk‐Heterojunction Organic Solar Cells: The Effect of Miscibility20
Two Equivalent Internal Rotations in the Microwave Spectrum of 2,6‐Dimethylfluorobenzene20
Hydrogen‐Bond Structure and Low‐Frequency Dynamics of Electrolyte Solutions: Hydration Numbers from ab Initio Water Reorientation Dynamics and Dielectric Relaxation Spectroscopy20
The Threshold Photoelectron Spectrum of Fulvenone: A Reactive Ketene Derivative in Lignin Valorization20
Single‐Atom Alloys for the Electrochemical Oxygen Reduction Reaction20
Building Blocks of Hybrid Perovskites: A Photoluminescence Study of Lead‐Iodide Solution Species20
A Theoretical Analysis on the Oxidation and Water Dissociation Resistance on Group‐IV Phosphide Monolayers19
Improved Battery Cycle Life Prediction Using a Hybrid Data‐Driven Model Incorporating Linear Support Vector Regression and Gaussian19
Computational Study on the Charge Transport and Optical Spectra of Anthracene Derivatives in Aggregates19
Influence of Substituents in the Benzene Ring on the Halogen Bond of Iodobenzene with Ammonia19
Submillisecond Freezing Permits Cryoprotectant‐Free EPR Double Electron−Electron Resonance Spectroscopy18
A Versatile Compact Parahydrogen Membrane Reactor18
Ultrafast Spectroscopy of Fe(II) Complexes Designed for Solar‐Energy Conversion: Current Status and Open Questions18
Photoswitching Molecular Junctions: Platforms and Electrical Properties17
Energetic Descriptors of Steric Hindrance in Real Space: An Improved IQA Picture**17
Quantitative Assessment of Labeling Probes for Super‐Resolution Microscopy Using Designer DNA Nanostructures17
Effects of Solid Electrolyte Interphase Components on the Reduction of LiFSI over Lithium Metal17
Anion‐Anion Complexes Established between Aspartate Dimers17
Metabolic Tumor Imaging with Rapidly Signal‐Enhanced 1‐13C‐Pyruvate‐d317
Synergistic and Diminutive Effects between Regium and Aerogen Bonds17
Interstellar Enolization‐Acetaldehyde (CH3CHO) and Vinyl Alcohol (H2CCH(OH)) as a Case Study17
Diborane Concatenation Leads to New Planar Boron Chemistry17
Designed Single Atom Bifunctional Electrocatalysts for Overall Water Splitting: 3d Transition Metal Atoms Doped Borophene Nanosheets17
The Gauche Effect in XCH2CH2X Revisited17
The Diversity of Linear Conjugated Polyenes and Colours in Nature: Raman Spectroscopy as a Diagnostic Tool16
Metastable Dianions and Dications16
Organic Supercapacitors as the Next Generation Energy Storage Device: Emergence, Opportunity, and Challenges16
Superoxide Anion Disproportionation Induced by Li+ and H+: Pathways to 1O2 Release in Li−O2 Batteries16
Structure Effects on the Ionicity of Protic Ionic Liquids16
Understanding Structural and Transport Properties of Dissolved Li2S8 in Ionic Liquid Electrolytes through Molecular Dynamics Simulations16
Mechanisms, Methods of Tracking and Applications of DNA Walkers: A Review16
The Impact of Leaving Group Anomericity on the Structure of Glycosyl Cations of Protected Galactosides15
Effect of Alkali Metal Cations on Length and Strength of Hydrogen Bonds in DNA Base Pairs15
Toward Continuous‐Flow Hyperpolarisation of Metabolites via Heterogenous Catalysis, Side‐Arm‐Hydrogenation, and Membrane Dissolution of Parahydrogen15
From Femtosecond to Nanosecond Laser Microstructuring of Conical Aluminum Surfaces by Reactive Gas Assisted Laser Ablation15
Impact of Ion‐Pairing Effects on Linear and Nonlinear Photophysical Properties of Polymethine Dyes**15
Control of Intrachain Morphology in the Formation of Polyfluorene Aggregates on the Single‐Molecule Level15
Electrochemical Ammonia Synthesis via NO Reduction on 2D‐MOF15
Weak σ‐Hole Triel Bond between C5H5Tr (Tr=B, Al, Ga) and Haloethyne: Substituent and Cooperativity Effects15
Improving Reproducibility in Hydrogen Storage Material Research15
The Scent of Maibowle – π Electron Localization in Coumarin from Its Microwave‐Determined Structure15
Kinetically Stable Nonequilibrium Gold‐Cobalt Alloy Nanoparticles with Magnetic and Plasmonic Properties Obtained by Laser Ablation in Liquid15
2021: A Surface Odyssey. Role of Oxygen Functional Groups on Activated Carbon‐Based Electrodes in Vanadium Flow Batteries14
Unraveling the Origin of Differentiable ‘Turn‐On’ Fluorescence Sensing of Zn2+ and Cd2+ Ions with Squaramides14
Towards Accurate Predictions of Proton NMR Spectroscopic Parameters in Molecular Solids14
Nickel Foam Supported NiO@Ru Heterostructure Towards High‐Efficiency Overall Water Splitting14
Insights on α‐Glucose Biosensors/Carriers Based on Boron‐Nitride Nanomaterials from an Atomistic and Electronic Point of View14
New Luminescent Lanthanide Tetrakis‐Complexes NEt4[LnL4] Based on Dimethyl‐N‐Benzoylamidophosphate14
The Bouguer‐Beer‐Lambert Law: Shining Light on the Obscure14
Characterization of Calcium Oxalate Hydrates and the Transformation Process14
Efficient Direct Reverse Intersystem Crossing between Charge Transfer‐Type Singlet and Triplet States in a Purely Organic Molecule14
Coordination Dynamics of Zinc Triggers the Rate Determining Proton Transfer in Human Carbonic Anhydrase II14
Topology Effects in Molecular Organic Electronic Materials: Pyrene and Azupyrene**14
Comparison of Density Functional and Correlated Wave Function Methods for the Prediction of Cu(II) Hyperfine Coupling Constants14
Unravelling the Role of Water in Ultrafast Excited‐State Relaxation Dynamics within Nano‐Architectures of Chlorophyll a13
Cationic Biphotonic Lanthanide Luminescent Bioprobes Based on Functionalized Cross‐Bridged Cyclam Macrocycles13
Experimental Evidence of CO2 Photoreduction Activity of SnO2 Nanoparticles13
Buffer Influence on the Amino Acid Silica Interaction13
Interplay Between Planar and Spherical Aromaticity: Shielding Cone Behavior in Dual Planar‐Planar, Planar‐Spherical and Spherical‐Spherical Aromatics13
Internal Rotation of the Acetyl Methyl Group in Methyl Alkyl Ketones: The Microwave Spectrum of Octan‐2‐one13
An Overview of Structure and Dynamics Associated with Hydrophobic Deep Eutectic Solvents and Their Applications in Extraction Processes13
In situ Surface Charge Density Visualization of Self‐assembled DNA Nanostructures after Ion Exchange13
A Photoionization Reflectron Time‐of‐Flight Mass Spectrometric Study on the Detection of Ethynamine (HCCNH2) and 2H‐Azirine (c‐H2CCHN)13
Impedance Response of a Thin Film on an Electrode: Deciphering the Influence of the Double Layer Capacitance13
Non‐Dissociative Activation of Chemisorbed Dinitrogen on One or Two Vanadium Atoms Supported by a Mo6S8 Cluster13
Fundamental Aspects of Ceria Supported Au Catalysts Probed by In Situ/Operando Spectroscopy and TAP Reactor Studies13
Feasibility of N2 Reduction on the V Anchored 1T−MoS2 Monolayer: A Density Functional Theory Study13
Polymorphism of Amyloid Fibrils Induced by Catalytic Seeding: A Vibrational Circular Dichroism Study13
Face‐Fusion of Icosahedral Boron Hydride Increases Affinity to γ‐Cyclodextrin: closo,closo‐[B21H18] as an Anion with Very Low Free Energy of Dehydration13
Insights into the Thermal and Photochemical Reaction Mechanisms of Azidoacetonitrile. Spectroscopic and MS‐CASPT2 Calculations12
On the Effect of the Various Assumptions and Approximations used in Molecular Simulations on the Properties of Bio‐Molecular Systems: Overview and Perspective on Issues12
Delicate Balance of Non‐Covalent Forces Govern the Biocompatibility of Graphitic Carbon Nitride towards Genetic Materials12
On the Formation of the Popcorn Flavorant 2,3‐Butanedione (CH3COCOCH3) in Acetaldehyde‐Containing Interstellar Ices12
Comparison of Different Reweighting Approaches for the Calculation of Conformational Variability of Macromolecules from Molecular Simulations12
Pristine Graphene as a Racemization Catalyst for Axially Chiral BINOL12
Digital Imaging‐based Colourimetry for Enzymatic Processes in Transparent Liquid Marbles12
Ligand‐Protected Ultrasmall Pd Nanoclusters Supported on Metal Oxide Surfaces for CO Oxidation: Does the Ligand Activate or Passivate the Pd Nanocatalyst?12
How Divalent Cations Interact with the Internal Channel Site of Guanine Quadruplexes12
Nano‐Optical Tweezers: Methods and Applications for Trapping Single Molecules and Nanoparticles12
Coherent Evolution of Signal Amplification by Reversible Exchange in Two Alternating Fields (alt‐SABRE)12
Polymer Electrochemiluminescence Featuring Thermally Activated Delayed Fluorescence12
2D Homogeneous Holey Carbon Nitride: An Efficient Anode Material for Li‐ion Batteries With Ultrahigh Capacity12
Identifying the Types and Characterization of the Active Sites on M−X−C Single‐Atom Catalysts12
Ultrafast Dynamics of the Transoid‐cis Isomer Formed in Photochromic Reaction from 3H‐Naphthopyran12
Advances in Studies of Boron Nitride Nanosheets and Nanocomposites for Thermal Transport and Related Applications12
Carbon Nanomembranes from Aromatic Carboxylate Precursors12
Homonuclear J‐Coupling Spectroscopy at Low Magnetic Fields using Spin‐Lock Induced Crossing**12
Phosphorene Supported Single‐Atom Catalysts for CO Oxidation: A Computational Study12
An Ensemble Structure and Physicochemical (SPOC) Descriptor for Machine‐Learning Prediction of Chemical Reaction and Molecular Properties12
Methanol Oxidation at Platinum in Alkaline Media: A Study of the Effects of Hydroxide Concentration and of Mass Transport12
The Role of Amyloid β‐Biomembrane Interactions in the Pathogenesis of Alzheimer's Disease: Insights from Liposomes as Membrane Models12
Induced Protic Behaviour in Aprotonic Ionic Liquids by Anion Basicity for Efficient Carbon Dioxide Capture12
Structural, Thermal, and Electronic Properties of Two‐Dimensional Gallium Oxide (β‐Ga2O3) from First‐Principles Design12
Highly Sensitive Upconverting Nanoplatform for Luminescent Thermometry from Ambient to Cryogenic Temperature12
Unraveling the Bonding Nature Along the Photochemically Activated Paterno‐Büchi Reaction Mechanism11
Facile Fabrication of PBS/CNTs Nanocomposite Foam for Electromagnetic Interference Shielding11
Structural Compactness in Hen Egg White Lysozyme Induced by Bisphenol S: A Spectroscopic and Molecular Dynamics Simulation Approach11
An Insight into Tunable Innate Piezoelectricity of Silk for Green Bioelectronics11
Reduction Mechanism of Transition Metal Oxide Particles in Thermally Induced Nanobubbles during Pulsed Laser Melting in Ethanol11
Deciphering the Electronic Transitions of Thiophene‐Based Donor‐Acceptor‐Donor Pentameric Ligands Utilized for Multimodal Fluorescence Microscopy of Protein Aggregates11
Interactions of Solvated Electrons with Nucleobases: The Effect of Base Pairing11
Exploring CO2@sI Clathrate Hydrates as CO2 Storage Agents by Computational Density Functional Approaches11
Stability and Catalytic Performance of Single‐Atom Supported on Ti2CO2 for Low‐Temperature CO Oxidation: A First‐Principles Study11
On the Uses of PCA to Characterise Molecular Dynamics Simulations of Biological Macromolecules: Basics and Tips for an Effective Use11
Effects of Conjugated Structure on the Magnesium Storage Performance of Dianhydrides11
Heavy‐Atom‐Free Bay‐Substituted Perylene Diimide Donor‐Acceptor Photosensitizers11
Rational Design of Fe2(μ‐PR2)2(L)6 Coordination Compounds Featuring Tailored Potential Inversion11
Structure‐Dependent Strain Effects11
Combined XPS and DFT investigation of the adsorption modes of methyl enol ether functionalized cyclooctyne on Si(001)11
Non‐conventional Hydrogen Bonding and Aromaticity: A Systematic Study on Model Nucleobases and Their Solvated Clusters11
Rivalry between Regium and Hydrogen Bonds Established within Diatomic Coinage Molecules and Lewis Acids/Bases11
Development and Application of a Complete Active Space Spin‐Orbit Configuration Interaction Program Designed for Single Molecule Magnets11
Exploring The Sequence of Electron Density Along The Chemical Reactions Between Carbonyl Oxides And Ammonia/Water Using Bond Evolution Theory10
Hyperpolarization Effects in Parahydrogen Activation with Pnictogen Biradicaloids: Metal‐free PHIP and SABRE10
Flow‐driven Surface Instabilities of Tubular Chitosan Hydrogel10
Large Amplitude Torsions in Nitrotoluene Isomers Studied by Rotational Spectroscopy and Quantum Chemistry Calculations10
Facile N≡N Bond Cleavage by Anionic Trimetallic Clusters V3−xTaxC4 (x=0–3): A DFT Study10
Conservation of ultrafast photoprotective mechanisms with increasing molecular complexity in sinapoyl malate derivatives10
Conformational Landscape, Chirality Recognition and Chiral Analyses: Rotational Spectroscopy of Tetrahydro‐2‐Furoic Acid⋅⋅⋅Propylene Oxide Conformers10
Theoretical Modeling of the Metal‐Organic Precursors of Anthracene‐Based Covalent Networks on Surfaces10
Dealloying Synthesis of Silicon Nanotubes for High‐Performance Lithium Ion Batteries10
Accurate Backbone 13C and 15N Chemical Shift Tensors in Galectin‐3 Determined by MAS NMR and QM/MM: Details of Structure and Environment Matter10
Photoelectron Spectroscopy and Structures of X⋅⋅⋅CH2O (X=F, Cl, Br, I) Complexes10
Cooperativity and Anticooperativity in Ion‐Water Interactions: Implications for the Aqueous Solvation of Ions10
Magic‐Angle‐Pulse Driven Separation of Degenerate 1H Transitions in Methyl Groups of Proteins: Application to Studies of Methyl Axis Dynamics10
Feasible Tuning of Surface OVs on (001) TiO2 for Superior Photocatalytic Nitrogen Fixation Activity10
How Quantum Dots Aggregation Enhances Förster Resonant Energy Transfer10
Adsorption and Activation of CO2 on Nitride MXenes: Composition, Temperature, and Pressure effects10
Neuromorphic Liquids, Colloids, and Gels: A Review10
Are Methylaluminoxane Activators Sheets?9
Frequency‐Selective Manipulations of Spins allow Effective and Robust Transfer of Spin Order from Parahydrogen to Heteronuclei in Weakly‐Coupled Spin Systems9
On the Structure of Sulfur/1,3‐Diisopropenylbenzene Co‐Polymer Cathodes for Li‐S Batteries: Insights from Density‐Functional Theory Calculations9
Geometrical Evolution and Formation of the Photoproduct in the Cycloreversion Reaction of a Diarylethene Derivative Probed by Vibrational Spectroscopy9
Electrochemical Performance of High‐Valence Mo6+ and Low‐Valence Mn2+ Doped‐ Na3V2(PO4)3@C Cathode for Sodium‐Ion Batteries9
Structural Stability of the CO2@sI Hydrate: a Bottom‐Up Quantum Chemistry Approach on the Guest‐Cage and Inter‐Cage Interactions9
Spectroscopic Investigation of Chalcogen Bonding: Halide–Carbon Disulfide Complexes9
Raman Optical Activity of N‐Acetyl‐L‐Cysteine in Water and in Methanol: The “Clusters‐in‐a‐Liquid” Model and ab Initio Molecular Dynamics Simulations9
S−H…O and O−H…O Hydrogen Bonds‐Comparison of Dimers of Thiocarboxylic and Carboxylic Acids9
Do Secondary Electrostatic Interactions Influence Multiple Dihydrogen Bonds? AA−DD Array on an Amine‐Borane Aza‐Coronand: Theoretical Studies and Synthesis9
Exploring the Effects of Ionic Defects on the Stability of CsPbI3 with a Deep Learning Potential9
Understanding the Effect of Solvent Environment on the Interaction of Hydronium Ion with Biomass Derived Species: A Molecular Dynamics and Metadynamics Investigation9
The Solubility of Gases in Ionic Liquids: A Chemoinformatic Predictive and Interpretable Approach9
Radiolytic Approach for Efficient, Selective and Catalyst‐free CO2 Conversion at Room Temperature9
DFT and IsoStar Analyses to Assess the Utility of σ‐ and π‐Hole Interactions for Crystal Engineering9
Ultrafast Excited State Relaxation Dynamics of New Fuchsine‐ a Triphenylmethane Derivative Dye9
3D Electron Diffraction Structure Determination of Terrylene, a Promising Candidate for Intermolecular Singlet Fission9
Cu Atomic Chain Supported on Graphene Nanoribbon for Effective Conversion of CO2 to Ethanol9
Formation of H3+ in Collisions of H2+ with H2 Studied in a Guided Ion Beam Instrument9
Raman Optical Activity of Glucose and Sorbose in Extended Wavenumber Range9
The Negative Solvatochromism of Reichardt‘s Dye B30 – A Complementary Study9
Heterogeneous 1H and 13C Parahydrogen‐Induced Polarization of Acetate and Pyruvate Esters9
Reversible Hyperpolarization of Ketoisocaproate Using Sulfoxide‐containing Polarization Transfer Catalysts9
Cell‐Penetrating Peptides: Correlation between Peptide‐Lipid Interaction and Penetration Efficiency9
Targeting the Rich Conformational Landscape of N‐Allylmethylamine Using Rotational Spectroscopy and Quantum Mechanical Calculations9
Artificial Neural Networks for Noise Removal in Data‐Sparse Charged Particle Imaging Experiments9
Vacancy assisted diffusion on single‐atom surface alloys9
Implication of Threonine‐Based Ionic Liquids on the Structural Stability, Binding and Activity of Cytochrome c9
Towards an Understanding of Halide Interactions with the Carbonyl‐Containing Molecule CH3CHO9
Simple Accurate Verification of Enthalpy‐Entropy Compensation and Isoequilibrium Relationship8
Optical Spectroscopy and Excited‐State Dynamics of Eu3+‐Doped Bismuth Borate Glasses Containing CuO8
Recycling of Primary Lithium Batteries Production Residues8
Boron Coordination Effect in Ni−Nx Doped Graphene Catalysts on the ORR Performance Based on DFT Calculations8
Molecular Dynamics Simulation of the Ionic Liquid 1‐n‐Butyl‐3‐Methylimidazolium Methylsulfate [Bmim][MeSO4]: Interfacial Properties at the Silica and Vacuum Interfaces8
Infrared and NMR Spectroscopic Fingerprints of the Asymmetric H7+O3 Complex in Solution8
The Reaction of Sulfur Dioxide Radical Cation with Hydrogen and its Relevance in Solar Geoengineering Models8
Configuration Flipping in Distal Pocket of Multidrug Transporter MexB Impacts the Efflux Inhibitory Mechanism8
Energetic Ordering of Hydrogen Bond Strengths in Methanol‐Water Clusters: Insights via Molecular Tailoring Approach8
Excited‐State Evolution of Keto‐Carotenoids after Excess Energy Excitation in the UV Region8
Strongly Bound π‐Hole Tetrel Bonded Complexes between H2SiO and Substituted Pyridines. Influence of Substituents8
Raman Spectroscopic Signature of Ectoine Conformations in Bulk Solution and Crystalline State8
Hydrogen Bonding and Vaporization Thermodynamics in Hexafluoroisopropanol‐Acetone and ‐Methanol Mixtures. A Joined Cluster Analysis and Molecular Dynamic Study8
Experimental Quantum Chemistry: A Hammett‐inspired Fingerprinting of Substituent Effects8
Solvent Effects in the Homogeneous Catalytic Reduction of Propionaldehyde with Aluminium Isopropoxide Catalyst: New Insights from PFG NMR and NMR Relaxation Studies8
The Quantitative Influence of Coordinated Halogen Atoms on the Catalytic Performance of Bisiminoacenaphthylnickel Complexes in Ethylene Polymerization8
An Octa‐Urea [Pd2L4]4+ Cage that Selectively Binds to n‐octyl‐α‐D‐Mannoside8
The Hunter Falls Prey: Photoinduced Oxidation of C60 in Inclusion Complex with Perfluorocycloparaphenylene8
Conformational Space Sampled by Domain Reorientation of Linear Diubiquitin Reflected in Its Binding Mode for Target Proteins8
Accurate Modelling of Group Electrostatic Potential and Distributed Polarizability in Dipeptides8
Group 12 Carbonates and their Binary Complexes with Nitrogen Bases and FH2Z Molecules (Z=P, As, Sb): Synergism in Forming Ternary Complexes8
Non‐Flammable Sodium Asymmetric Imide Salt‐Based Deep Eutectic Solvent for Supercapacitor Applications8
ParaHydrogen Polarized Ethyl‐[1‐13C]pyruvate in Water, a Key Substrate for Fostering the PHIP‐SAH Approach to Metabolic Imaging8
Model Studies on the Formation of the Solid Electrolyte Interphase: Reaction of Li with Ultrathin Adsorbed Ionic‐Liquid Films and Co3O4(111) Thin Films8
Molecular Modification of Single Cobalt Sites Boosts the Catalytic Activity of CO2 Electroreduction into CO8
Structural Changes Induced by Quinones: High‐Resolution Microwave Study of 1,4‐Naphthoquinone8
Insight into the Interaction of Furfural with Metallic Surfaces in the Electrochemical Hydrogenation Process8
Laser Induced Thermal Effect on the Polymerization Behavior in Upconversion Particle Assisted Near‐Infrared Photopolymerization8
Reactivity of Cobalt‐Fullerene Complexes towards Deuterium8
Laser Photoreduction of Graphene Aerogel Microfibers: Dynamic Electrical and Thermal Behaviors8
Single Quality Factor for Enthalpy‐Entropy Compensation, Isoequilibrium and Isokinetic Relationships8
Transition from Homochiral Clusters to Racemate Monolayers during 2D Crystallization of Trioxa[11]helicene on Ag(100)8
Through‐Space Polar‐π Interactions in 2,6‐Diarylthiophenols8
Chirality without Stereoisomers: Insight from the Helical Response of Bond Electrons8
Microwave Spectrum of Two‐Top Molecule: 2‐Acetyl‐3‐Methylthiophene8
Morphological and Interaction Characteristics of Surface‐Active Ionic Liquids and Palmitic Acid in Mixed Monolayers8
Origin of the Bürgi‐Dunitz Angle8
Semiclassical Trajectory Studies of Reactive and Nonreactive Scattering of OH(A2Σ+) by H2 Based on an Improved Full‐Dimensional Ab Initio Diabatic Potential Ene7
Chalcogen Bonds: How to Characterize Them in Solution?7
Insight into Out‐of‐Layer Fluctuations in the Smectic A Stability of 3,5‐Diarylisoxazole Liquid Crystals7
Nuclear Spin Hyperpolarization of NH2‐ and CH3‐Substituted Pyridine and Pyrimidine Moieties by SABRE7
Self‐Assembly of DNA and RNA Building Blocks Explored by Nitrogen‐14 NMR Crystallography: Structure and Dynamics7
Photo‐Responsive Behavior of Azobenzene Based Polar Hockey‐Stick‐Shaped Liquid Crystals7
Leveraging Actinide Hydrolysis Chemistry for Targeted Th and U Separations using Amidoxime‐Functionalized Poly(HIPE)s7
Rational Control of Off‐State Heterogeneity in a Photoswitchable Fluorescent Protein Provides Switching Contrast Enhancement**7
Gas‐Phase Synthesis of 3‐Vinylcyclopropene via the Crossed Beam Reaction of the Methylidyne Radical (CH; X2Π) with 1,3‐Butadiene (CH2CHCHCH2; X1Ag7
Competition between Inter and Intramolecular Tetrel Bonds: Theoretical Studies Complemented by CSD Survey7
Pronounced Dependence of All‐Polymer Solar Cells Photovoltaic Performance on the Alkyl Substituent Patterns in Large Bandgap Polymer Donors7
Chiral, Thermally Irreversible and Quasi‐Stealth Photochromic Dopant to Control Selective Reflection Wavelength of Cholesteric Liquid Crystal7
Catalytic Dehydrogenation of Ammonia Borane Mediated by a Pt(0)/Borane Frustrated Lewis Pair: Theoretical Design7
Simultaneous Broadband Suppression of Homonuclear and Heteronuclear Couplings in 1H NMR Spectroscopy7
Strength and Nature of Host‐Guest Interactions in Metal‐Organic Frameworks from a Quantum‐Chemical Perspective7
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