CORDIS Project
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This project develops a user-friendly computational tool for simulating nuclear spectra of complex molecular systems using advanced semiclassical molecular dynamics. It aims to bridge the gap between theoretical predictions and experimental results, enabling reliable spectral analysis in fields like environmental scien…
Given the continuing revolution in “nano” and “bio” technologies, it is urgent for chemists to be able to carry out reliable quantum dynamics simulations of complex molecular systems.
The goal of this project is to fill the gap between theory and experiment and provide the community with a user-friendly computational tool for nuclear spectra (IR, vibro-electronic, etc.) calculations of very complex systems.Present theoretical methodologies are hampered either by artificial nuclear potential inte…
UNIVERSITA DEGLI STUDI DI MILANO
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