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001     620296
005     20250110180203.0
024 7 _ |2 CORDIS
|a G:(EU-Grant)101155136
|d 101155136
024 7 _ |2 CORDIS
|a G:(EU-Call)HORIZON-MSCA-2023-PF-01-01
|d HORIZON-MSCA-2023-PF-01-01
024 7 _ |2 originalID
|a corda_____he::101155136
024 7 _ |2 doi
|a 10.3030/101155136
035 _ _ |a G:(EU-Grant)101155136
150 _ _ |a Quantum-mechanical modeling of the dissociation of hydrogen bonds
|b Advanced computational framework could unveil hydrogen bond ultrafast dynamics
|y 2024-10-01 - 2026-09-30
372 _ _ |a HORIZON-MSCA-2023-PF-01-01
|s 2023-04-12
|t 2023-09-13
450 _ _ |a QM Modeling H-Bond
|y 2024-10-01 - 2026-09-30
510 1 _ |0 I:(DE-588b)5098525-5
|a European Union
|b CORDIS
680 _ _ |a Hydrogen bonds are crucial in various scientific fields, including biology, chemistry and atmospheric science. While their spectroscopic features are well understood, the ultrafast dynamics of hydrogen bonds remain less explored. Current theoretical models often rely on classical or semi-classical approximations to describe nuclear movement. Funded by the Marie Skłodowska-Curie Actions programme, the QM Modeling H-Bond project aims to provide a fully quantum mechanical understanding of hydrogen bond dissociation leveraging advances in ultrafast imaging. Specifically, researchers will study the hydrogen bond dissociation dynamics of the pyrrole-H2O complex using a reduced-dimensional framework. The dissociation process will be initiated by infrared excitation. Improved understanding of the quantum dynamics of hydrogen bond dissociation should improve understanding of chemical, biological and atmospheric processes.
909 C O |o oai:juser.fz-juelich.de:1035205
|p authority:GRANT
|p authority
909 C O |o oai:juser.fz-juelich.de:1035205
980 _ _ |a G
980 _ _ |a AUTHORITY
980 _ _ |a CORDIS

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