Cover Image

Nonadiabatic couplings drive ultrafast, mode-selective intramolecular vibrational energy redistribution in flavins

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Timmer, Daniel, Kumar, Krishan, Götze, Jan P., Saalfrank, Peter, De Sio, Antonietta, Lienau, Christoph
Format:	Preprint
Published:	2026
Subjects:	Chemical Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Phase-cycling and double-quantum two-dimensional electronic spectroscopy using a common-path birefringent interferometer
by: Timmer, Daniel, et al.
Published: (2024)

Addressing intramolecular vibrational redistribution in a single molecule through pump and probe surface-enhanced vibrational spectroscopy
by: Loirette-Pelous, Aurelian, et al.
Published: (2026)

Comparing Exciton–Plasmon Couplings in J‐Aggregate and TMD‐Based Hybrids Using Angle‐Resolved Two‐Dimensional Electronic Spectroscopy
by: Daniel C. Lünemann, et al.
Published: (2026)

Beyond Cavity Born-Oppenheimer: On Non-Adiabatic Coupling and Effective Ground State Hamiltonians in Vibro-Polaritonic Chemistry
by: Fischer, Eric W., et al.
Published: (2023)

A quantum chemistry approach to linear vibro-polaritonic IR spectra with perturbative electron-photon correlation
by: Fischer, Eric W., et al.
Published: (2024)

Vibrational Dynamics and Spectroscopy of Water at Porous g-C$_{3}$N$_{4}$ and C$_{2}$N Materials
by: Ojha, Deepak, et al.
Published: (2024)

Two-dimensional electronic spectroscopy of organic semiconductor nanostructures
by: Timmer, Daniel, et al.
Published: (2024)

High-harmonic generation under electronic strong coupling: A time-dependent combined quantum electrodynamics/quantum chemistry study
by: Albrecht, Paul A., et al.
Published: (2025)

Nonadiabatic derivative couplings through multiple Franck-Condon modes dictate the energy gap law for near and short-wave infrared dye molecules
by: Ramos, Pablo, et al.
Published: (2023)

Strong coupling electron-photon dynamics: a real-time investigation of energy redistribution in molecular polaritons
by: Castagnola, Matteo, et al.
Published: (2024)

Exploring the impact of vibrational cavity coupling strength on ultrafast CN + $c$-C$_6$H$_{12}$ reaction dynamics
by: Chen, Liying, et al.
Published: (2023)

Broadband impulsive stimulated Raman spectroscopy reveals electronic state-specific vibronic coupling and vibrational coherence transfer through nonadiabatic electronic coupling
by: Kaur, Ramandeep, et al.
Published: (2026)

Analysis of intramolecular modes of liquid water in two-dimensional spectroscopy: a classical hierarchical equations of motion approach
by: Hoshino, Ryotaro, et al.
Published: (2025)

Nonadiabatic excited-state dynamics and energy gradients in the framework of FMO-LC-TDDFTB
by: Einsele, Richard, et al.
Published: (2024)

Quantum mechanical deconstruction of vibrational energy transfer rate and pathways modified by collective vibrational strong coupling
by: Yu, Qi, et al.
Published: (2024)

Nonadiabatic force matching for alchemical free-energy estimation
by: Rosa-Raíces, Jorge L., et al.
Published: (2025)

Quantum theory of a potential biological magnetic field sensor: radical pair mechanism in flavin adenine dinucleotide biradicals
by: Sotoodehfar, Amirhosein, et al.
Published: (2024)

Range separation of the interaction potential in intermolecular and intramolecular symmetry-adapted perturbation theory
by: Luu, Du, et al.
Published: (2024)

Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics
by: Cigrang, Léon E., et al.
Published: (2025)

Femtosecond Nonadiabatic Confinement of Molecular Dication Yield
by: Marante, Carlos, et al.
Published: (2026)

Liquid water under vibrational strong coupling: an extended cavity Born-Oppenheimer molecular dynamics study
by: Bowles, Jessica, et al.
Published: (2024)

Nonadiabatic Dynamics with Constrained Nuclear-Electronic Orbital Theory
by: Liu, Zhe, et al.
Published: (2025)

Semiclassical Nonadiabatic Molecular Dynamics for Molecular Exciton-Polaritons
by: Li, Xinyang, et al.
Published: (2024)

Orbital-optimized versus time-dependent density functional calculations of intramolecular charge transfer excited states
by: Selenius, Elli, et al.
Published: (2023)

A Vibronic Coupling Model to Study the Nonadiabatic Dynamics of Polyenes
by: Georges, Timothy N., et al.
Published: (2025)

Instanton Theory for Nonadiabatic Tunneling through Near-Barrier Crossings
by: Ye, Ziyan, et al.
Published: (2025)

Effect of different substituted groups on excited state intramolecular proton transfer of BOHMB
by: Yaodong Song, et al.
Published: (2024)

NATPS: Nonadiabatic Transition Path Sampling Using Time-Reversible MASH Dynamics
by: Yang, Xiran, et al.
Published: (2026)

Decoherence and vibrational energy relaxation of the electronically excited PtPOP complex in solution
by: Birgisson, Benedikt O, et al.
Published: (2025)

Nonadiabatic ImF instanton rate theory
by: Zarotiadis, Rhiannon A., et al.
Published: (2025)

Similarity Constrained CC2 for Efficient Coupled Cluster Nonadiabatic Dynamics
by: Stoll, Leo, et al.
Published: (2025)

A versatile and narrow linewidth infra-red radiation source for ro-vibration state selected preparation of molecules in molecular beams
by: Kumar, Avinash, et al.
Published: (2023)

An effective bath state approach to model infrared spectroscopy and intramolecular dynamics in complex molecules
by: Attal, Loïse, et al.
Published: (2025)

Nonadiabatic H-Atom Scattering Channels on Ge(111) Elucidated by the Hierarchical Equations of Motion
by: Dan, Xiaohan, et al.
Published: (2025)

Selective excitation of molecular vibrations via a two-mode cavity Raman scheme
by: Borges, Lucas, et al.
Published: (2025)

Disentangling collective coupling in vibrational polaritons with double quantum coherence spectroscopy
by: Schnappinger, Thomas, et al.
Published: (2024)

Floquet Nonadiabatic Mixed Quantum-Classical Dynamics in Laser-Dressed Solid Systems
by: Chen, Jingqi, et al.
Published: (2024)

Semiclassical Nonadiabatic Molecular Dynamics Using Linearized Pair-Density Functional Theory
by: Hennefarth, Matthew R., et al.
Published: (2024)

Simulating Nonadiabatic Dynamics in Benzophenone: Tracing Internal Conversion Through Photoelectron Spectra
by: Restaino, Lorenzo, et al.
Published: (2024)

Ultrafast optical modulation of vibrational strong coupling in ReCl(CO)$_3$(2,2-bipyridine)
by: Chen, Liying, et al.
Published: (2025)