Issue Editorial Masthead

2024-9-19

Essential vs Removable Bath Anharmonicity: Path Integral Results with Model Electronic-Vibrational Baths

2024-9-18

Enhanced Design of Kesterite Solar Cells through High-Throughput Screening and Machine Learning Approaches

2024-9-18

Thermal Transport and Thermal Polarization of Water in the Supercooled Regime

2024-9-18

Nonbonding Metal–Metal Interaction in Metal–Nitrogen–Carbon Single-Atom Catalysts Boosts CO Electroreduction

2024-9-17

In Search of Covalency Measure of Gd(III)-Ligand Interactions

2024-9-17

Energetic Landscape and Terminal Emitters of Phycobilisome Cores from Quantum Chemical Modeling

2024-9-17

Harnessing Light for G-Quadruplex Modulation: Dual Isomeric Effects of an <i>Ortho</i>-Fluoroazobenzene Derivative

2024-9-17

IR Hidden Patterns for Security Labels

2024-9-16

Probing the Roles of Temperature and Cooperative Effects in Chirality-Induced Spin Selectivity: Photoelectron Spin Polarization in Helical Tetrapyrroles

2024-9-15

Unsupervised Machine Learning in the Analysis of Nonadiabatic Molecular Dynamics Simulation

2024-9-13

Pinning Down Small Populations of Photoinduced Intermediates Using Transient Absorption Spectroscopy and Time-Dependent Density Functional Theory Difference Spectra to Provide Mechanistic Insight into Controlling Pyridine Azo Dynamics with Protons

2024-9-13

IGZO/PVP Composite Nanofiber Neuromorphic Transistors with Optoelectronic Synapse Emulation and Reservoir Computing

2024-9-13

Positional Isomerism of Aromatic Heterocyclic Spacer Cations in Two-Dimensional Dion–Jacobson Hybrid Perovskites

2024-9-13

Issue Publication Information

2024-9-12

Cavity Lasing of Thioflavin T in the Condensed Phase for Discrimination between Surface Interaction and β-Sheet Groove Binding in Alzheimer-Linked Peptides

2024-9-12

Issue Editorial Masthead

2024-9-12

How to Probe Hydrated Dielectrons Experimentally: <i>Ab Initio</i> Simulations of the Absorption Spectra of Aqueous Dielectrons, Electron Pairs, and Hydride

2024-9-12

Management of Light Absorption Based on Sidewall Reflection for Fabricating High-Performance Flexible Nano-Coned Sb₂Se₃ Thin Film Photovoltaics

2024-9-12

Time Resolved Quantum Tomography in Molecular Spectroscopy by the Maximal Entropy Approach

2024-9-12

Unveiling the Composition-Dependent Catalytic Mechanism of Pt–Ni Alloys for Oxygen Reduction: A First-Principles Study

2024-9-12

Simulating Cavity-Modified Electron Transfer Dynamics on NISQ Computers

2024-9-12

Chemoexcited Formation and Radiationless Decay Dynamics of Firefly Chromophore

2024-9-11

Stabilization of Perovskite Solar Cells by a Universal Dilution Strategy: The Crystallization Control of Blade-Coating

2024-9-11

Remarkable Insensitivity of Protein Diffusion to Protein Charge

2024-9-11

Temperature Dependence of Reaction Kinetics in a Hybrid GaAs Solar–Fuel Cell Device

2024-9-10

Impact of Classical and Quantum Light on Donor–Acceptor–Donor Molecules

2024-9-10

Effects of Anion Size, Shape, and Solvation in Binding of Nitrate to Octamethyl Calix[4]pyrrole

2024-9-10

Enhanced ClNO₂ Formation at the Interface of Sea-Salt Aerosol

2024-9-10

Physical Mechanisms of Improved Performance of Scaffolded Zinc–Silver Battery Cathodes

2024-9-10

Electrochromic, Surface-Anchored Metal–Organic Frameworks for Stabilized Silver Nanowire Flexible Transparent Electrodes

2024-9-9

Dressing a Nonpolarizable Force Field for OH^– in TIP4P/2005 Aqueous Solutions with Corrected Hirshfeld Charges

2024-9-9

Controlling Vibronic Coupling in Chlorophyll Proteins: The Effects of Excitonic Delocalization and Vibrational Localization

2024-9-9

Top-Down Synthesis of N-Type PbS Quantum Dots with High Photoluminescence Quantum Yield from Microsized Pb(OH)Cl

2024-9-9

A pH-Dependent Coarse-Grained Model for Disordered Proteins: Histidine Interactions Modulate Conformational Ensembles

2024-9-9

Ultralow Roll-off Thermally Activated Delayed Fluorescent Light-Emitting Diodes Based on Furo[2,3-<i>b</i>]quinoxaline Emitters

2024-9-9

Linear-Decoupling Enables Accurate Speed and Accuracy Predictions for Copolymerization Processes

2024-9-6

Discovering the Potential of High Phonon Energy Hosts in the Field of Visible-to-Ultraviolet C Upconversion

2024-9-6

Target Analysis Resolves the Ground and Excited State Properties from Femtosecond Stimulated Raman Spectra

2024-9-6

Controlling the Charge Carrier Dynamics of o-B₂N₂ Monolayer through Pnictogen Family Atoms Doping

2024-9-6

A Green Host–Guest Protocol to Improve Water Solubility of Fluorescent Dyes

2024-9-6

Cathodoluminescence of MAPbCl₃ Halide Perovskite Single Crystal

2024-9-6

Oxygen Vacancy Activates the Second-Nearest-Neighbor Lattice Oxygen for Oxidation Reaction

2024-9-6

Protonation State-Induced Unfolding of Protein Secondary Structure in the Gas Phase

2024-9-6

Fermi Edge of Semimetallic Borophane Sheets and its Reduction by a Porous Structure

2024-9-6

Coherent Charge Transfer Reveals a Different Theoretical Limit of Power Conversion Efficiency in Organic Solar Cells

2024-9-5

Identifying Differences between Semiclassical and Full-Quantum Descriptions of Plexcitons

2024-9-5

Defect Passivation: Physisorption or Chemisorption? A Nonadiabatic Molecular Dynamics Study

2024-9-5

Issue Publication Information

2024-9-5

Breaking the Linear Scaling Relationship by Alloying Micro Sn to a Cu Surface toward CO₂ Electrochemical Reduction

2024-9-5