Recent theoretical and algorithmic developments have improved the accuracy with which
path integral dynamics methods can include nuclear quantum effects in simulations of …

Insights into the microscopic structure and dynamics of the water's hydrogen-bonded
network are crucial to understand the role of water in biology, atmospheric and geochemical …

Vanadium-based cathodes with high specific capacity have attracted wide attention in
aqueous zinc ion batteries. The main barriers of the development of vanadium-based …

Raman spectroscopy has been employed for studying water structures in biomolecular
aqueous solutions for decades but challenges remain to quantify the hydrogen bonding …

A molecular description of the structure and behavior of water confined in aluminosilicate
zeolite pores is a crucial component for understanding zeolite acid chemistry under hydrous …

Understanding the role of water in biological processes remains a central challenge in the
life sciences. Water structures in hydration shells of biomolecules are difficult to study in situ …

The impact of the vibrational coupling of the OH stretch mode on the spectra differs
significantly between IR and Raman spectra of water. Unified understanding of the …

Coupling between vibrational modes is essential for energy transfer and dissipation in
condensed matter. For water, different OH stretch modes are known to be very strongly …

This study investigated the properties of films or bioplastics fabricated using a wet
processing method from yellow pea protein isolate (YPI) and protein concentrate (YPC) for …

Green hydrogen is a valuable energy source able to overcome the environmental issues
generated by fossil fuel consumption. In this regard, large-scale production of green …