Cover Feature: All‐Atom Quantum Mechanical Methodologies for One‐ and Two‐Photon Absorption of Realistic Systems (ChemPhysChem 11/2025)

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. More information can be found in the Research Article by M. de Wergifosse and co-workers (DOI: 10.1002/cphc.202401121).

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Publication Details

Journal
ChemPhysChem
Published
2025-06-02
DOI
https://doi.org/10.1002/cphc.202581102
Primary Topic
Laser-Matter Interactions and Applications
Type
article
Field-Weighted Citation Impact
0.00
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article

Cover Feature: All‐Atom Quantum Mechanical Methodologies for One‐ and Two‐Photon Absorption of Realistic Systems (ChemPhysChem 11/2025)

Marc de Wergifosse, Sarah Löffelsender, Marilù G. Maraldi
ChemPhysChem
Laser-Matter Interactions and Applications
article

Cover Feature: All‐Atom Quantum Mechanical Methodologies for One‐ and Two‐Photon Absorption of Realistic Systems (ChemPhysChem 11/2025)

Marc de Wergifosse, Sarah Löffelsender, Marilù G. Maraldi
article en

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. More information can be found in the Research Article by M. de Wergifosse and co-workers (DOI: 10.1002/cphc.202401121).

ChemPhysChemVol. 26(11)
University of Bonn (DE), UCLouvain (BE)
Openalex Percentile: Top 90%
Laser-Matter Interactions and Applications
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