Theoretical and computational chemistry form a synergistic field that harnesses the rigorous principles of quantum mechanics alongside sophisticated numerical simulations to elucidate molecular ...
A computational method accurately predicts the optimal ligand for a photochemical palladium catalyst, enabling new radical reactions of alkyl ketones. Ketones are common components in many organic ...
The integration of computational chemistry with synthetic organic methodologies has ushered in a new era of chemical research, where theoretical predictions and experimental validations work ...
7don MSN
Computational method can calculate forces between large molecules with unprecedented accuracy
A new computational method now makes it possible to calculate the forces between large molecules with unprecedented accuracy.
Results that may be inaccessible to you are currently showing.
Hide inaccessible results
Feedback