Probing the Electric Field Response of a Water Molecule Confined in Small Carbon Nanocages: A Density Functional Theory Investigation

2024-9-17

Noncovalent Interactions in Palladium (II)‐Catalyzed Meta‐Selective C−H Functionalization: Mechanistic Insights and Origins of Regioselectivity.

2024-9-14

Boolean Logic Gate Operation in Bacteriorhodopsin of Purple Membrane Based on a Molten Globule‐like State

2024-9-13

Life Cycle of LiFePO4 Batteries: Production, Recycling, and Market Trends

2024-9-12

Study of sterically crowded alkanes: assessment of non‐empirical density functionals including double‐hybrid cost‐effective methods

2024-9-11

Boosting Electrochemical Nitrate Reduction to Ammonia by Fe Doped CuO/Co3O4 Nanosheet/Nanowire Heterostructures

2024-9-11

EXPLORATION OF OPTIMISATION STRATEGIES FOR LOCKING THE SULFUR IN 2D LAYERED/ POLYMER‐ENVELOPED CATHODE COMPOSITE FOR HIGH POWER Li‐S BATTERIES

2024-9-11

Size and Morphology Dependent Activity of Cu Clusters for CO2 Activation and Reduction: A First Principles Investigation

2024-9-11

Quantum Effects Explain the Twist Angle in the Helical Structure of DNA

2024-9-9

MOLECULAR MECHANISM OF PHYSICAL AND MECHANICAL IMPROVEMENT IN GRAPHENE/GRAPHENE OXIDE‐EPOXY COMPOSITE MATERIALS

2024-9-9

Chromogenic Chemosensor for Simultaneous Detection of PO43¯ and CO32¯ Anions in Organo‐Aqueous Solutions: Application in Arduino Based Electronic Color Sensor Device and Logic Gate

2024-9-8

Role of the Quantum Interactions in H2 Adsorption on Late Transition Metal Chelated Linkers of Covalent Organic Frameworks

2024-9-6

Tunable Properties of Non‐Volatile Magnetic Mixtures on Different Surfaces

2024-9-5

The Effect of Salts on the CO2 Reduction Product Distribution in an Aprotic Electrolyte

2024-9-5

Can Metal Promotion of SAPO‐34 Genuinely Improve its Catalytic Performance in Methanol Conversion to Light Olefins Reaction?

2024-9-4

Nanobubbles in Ultrapure Water Can Self‐Propel

2024-9-4

Radical Addition Reactions: Hierarchical Ab initio Benchmark and DFT Performance Study

2024-9-4

On the relationship between water adsorption and surface chemistry in soda‐lime silicate glasses

2024-9-4

Thio and Seleno Derivatives of Angelicin as Efficient Triplet Harvesting Photosensitizers: Implications in Photodynamic Therapy

2024-9-4

Impact of Light on Coexistence of Memresistance, Meminductance, and Memcapacitance (MEMRIC) in Nanostructured Copper Oxide (CuO) based Random Access Memory Devices

2024-9-3

Na3Zr2Si2PO12‐polymer composite electrolyte for solid state sodium batteries

2024-9-2

A Computational Analysis of the Proton Affinity and the Hydration of TEMPO and Its Piperidine Analogs

2024-9-2

Cover Feature: Formation of Methanol via Fischer‐Tropsch Catalysis by Cosmic Iron Sulphide (ChemPhysChem 17/2024)

2024-9-2

Confinement Effects of Two‐dimensional Surfaces on Water Adsorption and Dissociation over Pt(111)

2024-9-2

Molecular analysis of changes in DNA binding affinity and bending extent induced by the mutations on the aromatic amino residues in Cren7

2024-9-2

Illuminating the Performance of Electron Withdrawing Groups in Halogen Bonding

2024-9-2

Cover Feature: Similarities and Differences of Hydridic and Protonic Hydrogen Bonding (ChemPhysChem 17/2024)

2024-9-2

Front Cover: Raman Spectral Analysis in the CH_x‐Stretching Region as a Guiding Beacon for Non‐Targeted, Disruption‐Free Monitoring of Germination and Biofilm Formation in the Green Seaweed <i>Ulva</i> (ChemPhysChem 17/2024)

2024-9-2

Electron Attachment to the Nucleobase Uracil in Diethylene Glycol: The Signature of a Doorway

2024-9-2

A Benchmark Study of DFT‐Computed p‐Block Element Lewis Pair Formation Enthalpies against Experimental Calorimetric Data

2024-9-1

General synthesis of single‐crystalline Ta2O5 nanorods towards enhanced photocatalytic H2 production activity

2024-9-1

Designing V single atom embedded carbon moiety for the electrocatalytic nitrogen reduction reaction by first principles study

2024-8-30

Assignment of a Physical Energy Scale for the Dimensionless Interaction Energies within the PRIME20 Peptide Model

2024-8-30

Blue Phase III from Bent‐Core Liquid Crystals: Unveiling Thermal Stability &amp; Unique Traits – A Comprehensive Review

2024-8-28

Low Energy (&lt; 10 eV) Electron Collision with Benzonitrile‐CCl4 Admixture: A Combined Theoretical and Experimental Study

2024-8-27

Unveiling the Obscure Potential of o‐carborane Based IFLPs for CO2 Sequestration

2024-8-27

Emerging Mixed‐Valence Porous Materials

2024-8-27

Exploring the Impact of Protein Chain Selection in Binding Energy Calculations with DFT

2024-8-27

Experimental elucidation of a cubane water cluster in the hydrophobic cavity of UiO‐66

2024-8-25

Interfacial Electronic Structure Engineering of NiCo2Se4 and NiTe2 Nanorods for Enhanced Hydrogen Evolution Reaction

2024-8-24

13C CSA Tensors and Orientational Order of Model and Dimer Mesogens Comprising of Phenyl Benzoate

2024-8-23

Doping‐Induced Enhancement of Hydrogen Evolution at MoS₂ Electrodes

2024-8-23

Effect of Aggregated Lysozyme on Fluorescence Properties of Rose Bengal

2024-8-23

Harmonic scale factors of fundamental transitions for dispersion‐corrected quantum chemical methods

2024-8-22

Pt12H24‐: a Cuboctahedral Platinum Hydride Cluster Cage

2024-8-22

Band alignment and surface photo‐voltage analysis of c‐Si/SiOx/poly‐silicon passivating‐contact stacks through X‐ray photoelectron spectroscopy

2024-8-21

Dynamics of pH Oscillators in Continuous Stirred Tanks in Series

2024-8-20

Cover Feature: Tuning Electronic and Structural Properties of Lead‐Free Metal Halide Perovskites: A Comparative Study of 2D Ruddlesden‐Popper and 3D Compositions (ChemPhysChem 16/2024)

2024-8-19

Performance of single nanopore and multi‐pore membranes for blue energy

2024-8-19