CORDIS Project
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This project aims to enhance the understanding of Proton Coupled Electron Transfer processes, crucial for biological photosynthesis, by revising the theoretical framework for spectroscopy. It combines advanced computational methods to develop a new approach for simulating infrared spectra in large molecular systems.
The Born-Oppenheimer Approximation (BOA) has determined how chemists describe molecules since 1927. BOA separates electronic and nuclear degrees of freedom, considering that the electron timescale is much shorter than the nuclear one.
This assumption does not hold in Proton Coupled Electron Transfer (PCET) processes. PCET is the key to efficiency in biological photosynthesis.
Time-Resolved Infrared spectroscopy (TRIR) assists PCET investigations but it is usually interpreted with harmonic freque…
UNIVERSITA DEGLI STUDI DI MILANO
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United States, Princeton, Nj
Type: University / higher education
Activity type: Higher or Secondary Education Establishments
SME: No
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