Fragment Diabatization Linear Vibronic Coupling Model for Quantum Dynamics of Multichromophoric Systems: Population of the Charge-Transfer State in the Photoexcited Guanine

Fragment Diabatization Linear Vibronic Coupling Model for Quantum Dynamics of Multichromophoric Systems: Population of the Charge-Transfer State in the Photoexcited Guanine–Cytosine Pair

Published:2021-07-16 Issue:8 Volume:17 Page:4660-4674
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Green James A.¹^ORCID,Yaghoubi Jouybari Martha²,Asha Haritha¹,Santoro Fabrizio²^ORCID,Improta Roberto¹^ORCID

Affiliation:

1. Istituto di Biostrutture e Bioimmagini (IBB-CNR), Consiglio Nazionale delle Ricerche, via Mezzocannone 16, I-80136 Napoli, Italy

2. Istituto di Chimica dei Composti Organo Metallici (ICCOM-CNR), Consiglio Nazionale delle Ricerche, SS di Pisa, Area della Ricerca, via G. Moruzzi 1, I-56124 Pisa, Italy

Funder

H2020 Marie Sk??odowska-Curie Actions

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00416

Reference82 articles.

1. Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases

2. Quantum Chemical Modeling of the Photoinduced Activity of Multichromophoric Biosystems

3. Quantum Chemical Studies of Light Harvesting