Faraday Discussions

2024-4-22

Front cover

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Probing the Interfacial Structure of Aqueous Surfactants through Helium Atom Evaporation

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List of participants

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Reaction interferometry with ultracold molecules

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Tracking Li atoms in real-time with ultra-fast NMR simulations

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Knowledge distillation of neural network potential for molecular crystals

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A phenazine-based conjugated microporous polymer as a high performing cathode for aluminium–organic batteries

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Re-evaluating Retrosynthesis Algorithms with Syntheseus

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Scattering at condensed-phase surfaces: general discussion

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Scattering in extreme environments: general discussion

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Nafion Coated Nanopore Electrode for Improving Electrochemical Aptamer-Based Biosensing

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Vibrational energy transfer in ammonia-helium collisions

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Overdetermination Method for Accurate Dynamic Ion Correlations in Highly Concentrated Electrolytes

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Force and stress calculation with neural network wavefunction for solids

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CO adsorption on Pt(111) studied by periodic coupled cluster theory

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First-principles NMR of oxide glasses boosted by machine learning

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Inelastic Scattering of NO(A²Σ⁺) + CO₂; Rotation-Rotation Pair-Correlated Differential Cross Sections

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Investigating the effect of particle size distribution and complex exchange dynamics on NMR spectra of ions diffusing in disordered porous carbons through a mesoscopic model

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Exploring the structure of type V deep eutectic solvents by Xenon NMR Spectroscopy

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Electrochemical Kinetic Fingerprinting of Single-Molecule Cooridations in the Confined Nanopores

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Temperature-induced mobility in Octacalcium Phosphate impacts crystal symmetry: water dynamics studied by NMR crystallography

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The essential synergy of MD simulation and NMR in understanding amorphous drug forms

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Characterization of Ephedrine HCl and Pseudoephedrine HCl Using Quadrupolar NMR Crystallography Guided Crystal Structure Prediction

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Integrated Scanning Electrochemical Cell Microscopy Platform with Local Electrochemical Impedance Spectroscopy using Preamplifier

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Single-molecule electrochemical imaging of 'split waves' in the electrocatalytic (EC') mechanism

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An engineered T7 RNA polymerase for efficient co-transcriptional capping with reduced dsRNA byproducts in mRNA synthesis

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Oxygen-resistant [FeFe]hydrogenases: new biocatalysis tools for clean energy and cascade reactions

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Tailored Carbon Dioxide Capacity in Carboxylate-Based Ionic Liquids†

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Dynamics and nano-rheology of interfacial water: general discussion

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Back cover

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Accelerated basis-set convergence of coupled-cluster excitation energies using the density-based basis-set correction method

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Tuning the peroxidase activity of artificial P450 peroxygenase by engineering redox-sensitive residues

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Enhancement of essential cofactors for <i>in vivo</i> biocatalysis

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The interplay of density functional selection and crystal structure for accurate NMR chemical shift predictions

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High-throughput selection of (new) enzymes: phage display-mediated isolation of alkyl halide hydrolases from a library of active-site mutated epoxide hydrolases

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Surveying the scope of aromatic decarboxylations catalyzed by prenylated-flavin dependent enzymes

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Retuning the potential of the electrochemical leaf

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How big is Big Data?

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Accurate and Reliable Thermochemistry by Data Analysis of Complex Thermochemical Networks using Active Thermochemical Tables: The Case of Glycine Thermochemistry

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Biocatalytic pathways, cascades, cells and systems: general discussion

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On synergy between ultrahigh throughput screening and machine learning in biocatalyst engineering

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Reaction dynamics of S(³P) with 1,3-butadiene and isoprene: Crossed beam scattering, low temperature flow experiments, and high-level electronic structure calculations

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Electric Field Induced Associations in the Double Layer of Salt-in-Ionic-Liquid Electrolytes

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Molecular beam scattering of ammonia from a dodecane flat liquid jet

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Are we fitting data or noise? Analysing the predictive power of commonly used datasets in drug-, materials-, and molecular-discovery.

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Exploring the crystallisation of aspirin in a confined porous material using solid-state nuclear magnetic resonance

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Identification of reaction intermediates in the decomposition of formic acid on Pd

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Contents list

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Permutation Symmetry in Spin Adapted Many-Body Wave Functions

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