The ion's pathway is strongly influenced by a process that is ubiquitous across bio- and electrochemistry: ions need to ...

The ion's pathway is strongly influenced by a process that is ubiquitous across bio- and electrochemistry: ions need to ...

Scientists from the Fritz Haber Institute, Sorbonne University, and Uppsala University have made a groundbreaking discovery ...

A solvation shell or solvation sheath is the solvent interface of any chemical compound or biomolecule that constitutes the solute in a solution. When the solvent is water it is called a hydration ...

The sensitivity of the hydrophobic ODMS tail conformations to compression─owing to distinct water–ODMS interactions and tail–tail solvation properties─offers new strategies for the design of ...

The repository contains all of the code and instructions needed to reproduce the experiments and results of Accurate prediction of aqueous free solvation energies using 3D atomic feature-based graph ...

predict_smd_solv.py [-h] [--smi SMI] [--fmax FMAX] [--cores CORES] [--num_confs NUM_CONFS] [--output OUTPUT] calculate solvation energy for small molecules optional arguments: -h, --help show this ...

Their paper, titled "The solvation shell probed by resonant intermolecular Coulombic decay," has been published in the journal Nature Communications. When substances dissolve in a liquid ...

Now, high-performing lithium battery electrolytes can be produced from non-solvating solvents by using a molecular-docking solvation strategy that takes advantage of intermolecular interactions ...