Solid-Liquid Equilibria for Binary Systems Containing Naphthalene or Biphenyl and Long-Chain 1-Alkanols
The study reports solid-liquid equilibrium data for binary mixtures of naphthalene or biphenyl with 1-tetradecanol or 1-hexadecanol, determined using differential scanning calorimetry. The systems exhibit simple eutectic behavior, and the data are correlated using thermodynamic models.
In-Situ Observation of Covalent Organic Framework Formation Reveals Role of Solvents in Nucleation and Growth
Solvents play a crucial role in the nucleation and growth of covalent organic frameworks, as revealed by in-situ optical microscopy observations of the liquid-liquid phase separation and structured solvent formation during the synthesis process.
Selective Lignin Arylation for Efficient Biomass Fractionation and Production of Eco-Friendly Bisphenols
Selective catalytic arylation of lignin-derived phenols enables efficient biomass fractionation and production of benign bisphenols as sustainable replacements for fossil-based counterparts.
Reproducing Reaction Mechanisms with Machine Learning Models Trained on a Large-Scale Mechanistic Dataset
Maschinelles Lernen zur Vorhersage von Reaktionsmechanismen mit einem großen mechanistischen Datensatz.
Surfactant CMC Temperature Prediction Using Graph Neural Networks
Surfactant CMC prediction using GNNs for temperature dependency.
MolNexTR: A Deep Learning Model for Molecular Image Recognition
MolNexTR is a novel deep learning model that accurately predicts molecular structures from images, achieving superior performance in recognizing diverse molecular styles.
Considerations in the Use of Machine Learning Interaction Potentials for Free Energy Calculations
Machine learning potentials can accurately predict free energy surfaces but require comprehensive training datasets.
GradNav: Accelerated Exploration of Potential Energy Surfaces with Gradient-Based Navigation
GradNav algorithm accelerates exploration of energy surfaces by navigating potential barriers effectively.
Long-term Continuous Ammonia Electrosynthesis: Solvent's Crucial Role
A chain ether-based electrolyte enables long-term continuous ammonia synthesis.
MolNexTR: A Novel Deep Learning Model for Molecular Image Recognition
MolNexTR is a novel deep learning model that accurately predicts molecular structures from diverse image styles, achieving superior performance in molecular structure recognition.
