A Triple Layer of Immiscible Solvents for NMR Sample Preparation: Enhanced Sensitivity and Reduced Deuterated Solvent for Observation of Heteronuclei

The Chemfp Project

Tautomeric Equilibria Revised

Specific-Ion Effects Directed Noble Metal Aerogels: Versatile Manipulation for Electrocatalysis and Beyond

Why is High Persistence Alone a Major Cause of Concern?

Tris(pyrazolyl)borate Copper Hydroxide Complexes Featuring Tunable Intramolecular H-bonding

Plasmonic Stamps Fabricated by Gold Dewetting on PDMS for Catalyzing Hydrosilylation on Silicon Surfaces

Determination of Base Flipping Free Energy Landscapes from Nonequilibrium Stratification

Effect of Symmetric and Asymmetric Substitution on the Optoelectronic Properties of 9,10-Dicyanoanthracene

Total Synthesis of (+)-Granatumine A and Related Bislactone Limonoid Alkaloids via a Pyran to Pyridine Interconversion

Effects of π-Extension on Pyrrole Hemithioindigo Photoswitches

Electronic Transitions of Molecules: Vibrating Lewis Structures

Low-Cost Molecular Excited States from a State-Averaged Resonating Hartree-Fock Approach

Tuning of Hyperpolarizability, One- and Two-Photon Absorption of D-A and D-A-A Type Intramolecular Charge Transfer Based Sensors

Convergent Total Synthesis of (–)-Principinol D, a Rearranged Kaurane Diterpenoid

The Key to the Problem of Reversible Chemical Hydrogen Storage is 12 kJ (mol H₂)^-1

PT-Symmetry in Hartree–Fock Theory

Facile Synthesis of Formate-Functionalized Graphene Quantum Dots

Testing the Hypothesis That the Nylonase NylB Protein Arose De Novo via a Frameshift Mutation

First Principles Micro-kinetic Model of Catalytic Non-oxidative Dehydrogenation of Ethane over Close-packed Metallic Facets

Capturing Nature's Oxonium Ions

Epitaxial Dimers and Auger-Assisted De-Trapping in PbS Quantum Dot Solids

Ab-Initio Study of Circular Dichroism and Circularly Polarized Luminescence of Spin-allowed and Spin-forbidden Transitions: From Organic Ketones to Lanthanide Complexes

Copper-Catalyzed Hydrocarboxylation of Allenes

Photocatalytic Proximity Labelling of MCL-1 by a BH3 Ligand

Bundling in Molecular Dynamics Simulations to Improve Generalization Performance in High-Dimensional Neural Network Potentials

Excited-State Dynamics in the RNA Nucleotide Uridine 5’-Monophosphate Investigated by Femtosecond Broadband Transient Absorption Spectroscopy

Non-Aqueous Continuous-Flow Electrophoresis (NACFE): Separation Complement for Continuous-Flow Organic Synthesis

Photo-Sensitizing Thin-Film Ferroelectric Oxides Using Materials Databases and High-Throughput Calculations

Preparation and Crystal Structure of 1,2-Bis(2,5-Dimethylthiophen-3-Yl)ethane-1,2-Dione

Extracting Design Principles for Efficient Thermally Activated Delayed Fluorescence (TADF) from a Simple Four-State Model

Continuous Flow Mode Biocatalytic Transamination Using Macrocellular Silica Monoliths: Optimizing Support Functionalisation and Enzyme Grafting

pH Swing Cycle for CO2 Capture Electrochemically Driven through Proton-Coupled Electron Transfer

Heterogeneous CPU+GPU-Enabled Simulations for DFTB Molecular Dynamics of Large Chemical and Biological Systems

Proton Conductive Membranes Based on Carboxylated Cellulose Nanofibres and Their Proton Exchange Membrane Fuel Cell Performance

Programmable Synthesis of 2-Deoxyglycosides

On the Linear Geometry of Lanthanide Hydroxide (Ln—OH, Ln=La-Lu)

Exploring the Thermodynamic Criteria for Responsive Adsorption Processes

Reaction-based Enumeration, Active Learning, and Free Energy Calculations to Rapidly Explore Synthetically Tractable Chemical Space and Optimize Potency of Cyclin Dependent Kinase 2 Inhibitors

When Current Does Not Follow Bonds: Current Density in Saturated Molecules