Cover Feature: All‐Atom Quantum Mechanical Methodologies for One‐ and Two‐Photon Absorption of Realistic Systems (ChemPhysChem 11/2025)
(2025) ChemPhysChem : a European journal of chemical physics and physical chemistry —
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ChemPhysChem-2025-Loffelsender-CoverFeatureAllAtomQuantumMechanicalMethodologiesforOneandTwoPhoton.pdf
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- Authors
Löffelsender, Sarah 
- Abstract
- The Cover Feature shows how, by explicitly including the surroundings and dynamic structural effects, all-atom QM methodologies using simplified quantum chemistry methods allow one- and two-photon absorption spectra of realistic systems to be computed within reasonable computational times. Excellent comparisons with respect to experiment are provided for the flavin mononucleotide in aqueous solution as well as two proteins
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Citations
Löffelsender, S., Maraldi, M., & de Wergifosse, M. (2025). Cover Feature: All‐Atom Quantum Mechanical Methodologies for One‐ and Two‐Photon Absorption of Realistic Systems (ChemPhysChem 11/2025). ChemPhysChem : a European journal of chemical physics and physical chemistry. https://hdl.handle.net/2078.5/248315