The study of vibrational spectroscopy, coupled with detailed potential energy surface (PES) modelling, has transformed our understanding of molecular dynamics and interaction mechanisms. By probing ...
Researchers led by Prof. ZHOU Wu from the University of Chinese Academy of Sciences (UCAS) and Prof. Sokrates T. Pantelides of Vanderbilt University have pushed the sensitivity of single-atom ...
We examine the role of electronic polarizability in water on short (tens of femtoseconds), intermediate (hundreds of femtoseconds), and long (≈1 ps) time scales by comparing molecular dynamics results ...
Vibrational spectroscopy, a technique essential for analyzing chemical components in biological compounds, cells, organisms, tissues, and bioactivity products, plays a significant role in various ...
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