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ZENODO
Dataset . 2024
License: CC BY
Data sources: ZENODO
ZENODO
Dataset . 2024
License: CC BY
Data sources: Datacite
ZENODO
Dataset . 2024
License: CC BY
Data sources: Datacite
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Claim

Observing and controlling electrocyclic ring-opening reaction of cyclohexadiene at conical intersection

Research datakeyboard_double_arrow_right Dataset 05 Nov 2024Publisher:Zenodo
Authors: Montorsi, Francesco;

doi: 10.5281/zenodo.14040984 , 10.5281/zenodo.14040985

Observing and controlling electrocyclic ring-opening reaction of cyclohexadiene at conical intersection

Abstract

The photoinduced cyclohexadiene/hexatriene ring-opening reaction has been modeled via explicit wave-packet propagation (Quantum dynamics-QD) on a two-dimensional (2D) ab-initio Hamiltonian (H) parametrized with multiconfigurational perturbative wavefunction theory (XMS-CASPT2). Electronic coherences and omptimal control pulses to enhance the ring-opening quantum yield have been modeled. 

Related Organizations
Keywords

photochemistry, electronic coherences, quantum dynamics, optimal control theory

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average