As newly reported by the journal Physical Chemistry Chemical Physics ... for the microscopic system such as an atom or molecule—time-evolutionally changes its phase depending on its total ...

Molecular machine learning (ML) underpins critical workflows in drug discovery, material science, and catalyst optimization ...

Understanding the differences between physical and chemical changes is the basics in the study of chemistry. These two types of transformations describe how substances can change in terms of their ...

The most detailed images yet made of the chemical bonds in a molecule vividly show what ... have been able to observe the true physical differences between these bond types, which could give ...

Simulations of over 64 million atoms for over 1 μs allow us to conduct a comprehensive study of the chemical–physical properties ... These differences between frequency-to-structure mappings ...

That was enough to break one bond – between the molecule’s nitrogen and hydrogen atom – but not to disturb ... the molecule), or resulted in a chemical change that cannot readily be reversed.