CORDIS Project
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This project develops a new quantum dynamics methodology to analyze the molecular vibrations of flexible systems, addressing limitations in traditional spectroscopy. It aims to enhance understanding of molecular properties by investigating interactions that influence spectral characteristics, particularly in chiral mol…
Chemistry is developed with the improvement of experimental and theoretical spectroscopy. A well-known approach for molecular vibration is based on harmonic oscillators, but it cannot be used for floppy systems.
To analyze spectra of floppy systems, the exact quantum dynamics (QD) methodology based on a numerically ‘exact’ solution of the (ro)vibrational Schrödinger equation has been developed.
It may appear that ro-vibrational spectroscopy is well established, based on the electronic Schrödinge…
EOTVOS LORAND TUDOMANYEGYETEM
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Hungary, Szeged
Type: University / higher education
Activity type: Higher or Secondary Education Establishments
SME: No
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