Molecular kinetic modeling in petroleum processing represents a critical advancement in understanding the intricate reaction mechanisms at the molecular level, thereby enhancing process optimisation ...

Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

Simulated predicted shape distribution for magic-sized silver clusters (purple insets) assembled at different solvent temperatures. These predictions can guide experiments to target seeds for crystal ...