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2021 | 4 |
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Page 1
Nonadiabatic Vibrational Resonance Raman Spectra from Quantum Dynamics Propagations with LVC Models. Application to Thymine.
J Phys Chem A. 2022 Oct 20;126(41):7468-7479. doi: 10.1021/acs.jpca.2c05271. Epub 2022 Sep 13.
J Phys Chem A. 2022.
PMID: 36099554
Free PMC article.
Nonadiabatic Absorption Spectra and Ultrafast Dynamics of DNA and RNA Photoexcited Nucleobases.
Green JA, Jouybari MY, Aranda D, Improta R, Santoro F.
Green JA, et al. Among authors: jouybari my.
Molecules. 2021 Mar 20;26(6):1743. doi: 10.3390/molecules26061743.
Molecules. 2021.
PMID: 33804640
Free PMC article.
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The Ultrafast Quantum Dynamics of Photoexcited Adenine-Thymine Basepair Investigated with a Fragment-based Diabatization and a Linear Vibronic Coupling Model.
Jouybari MY, Green JA, Improta R, Santoro F.
Jouybari MY, et al.
J Phys Chem A. 2021 Oct 14;125(40):8912-8924. doi: 10.1021/acs.jpca.1c08132. Epub 2021 Oct 5.
J Phys Chem A. 2021.
PMID: 34609880
Free PMC article.
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Quantum dynamics of the ππ*/nπ* decay of the epigenetic nucleobase 1,5-dimethyl-cytosine in the gas phase.
Yaghoubi Jouybari M , Liu Y , Improta R , Santoro F .
Yaghoubi Jouybari M , et al.
Phys Chem Chem Phys. 2020 Nov 25;22(45):26525-26535. doi: 10.1039/d0cp04123h.
Phys Chem Chem Phys. 2020.
PMID: 33188675
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Fragment Diabatization Linear Vibronic Coupling Model for Quantum Dynamics of Multichromophoric Systems: Population of the Charge-Transfer State in the Photoexcited Guanine-Cytosine Pair.
Green JA, Yaghoubi Jouybari M, Asha H, Santoro F, Improta R.
Green JA, et al. Among authors: yaghoubi jouybari m.
J Chem Theory Comput. 2021 Aug 10;17(8):4660-4674. doi: 10.1021/acs.jctc.1c00416. Epub 2021 Jul 16.
J Chem Theory Comput. 2021.
PMID: 34270258
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Ultrafast Dynamics of the Two Lowest Bright Excited States of Cytosine and 1-Methylcytosine: A Quantum Dynamical Study.
Yaghoubi Jouybari M, Liu Y, Improta R, Santoro F.
Yaghoubi Jouybari M, et al.
J Chem Theory Comput. 2020 Sep 8;16(9):5792-5808. doi: 10.1021/acs.jctc.0c00455. Epub 2020 Aug 10.
J Chem Theory Comput. 2020.
PMID: 32687360
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Parameterization of a linear vibronic coupling model with multiconfigurational electronic structure methods to study the quantum dynamics of photoexcited pyrene.
Aleotti F, Aranda D, Yaghoubi Jouybari M, Garavelli M, Nenov A, Santoro F.
Aleotti F, et al. Among authors: yaghoubi jouybari m.
J Chem Phys. 2021 Mar 14;154(10):104106. doi: 10.1063/5.0044693.
J Chem Phys. 2021.
PMID: 33722019
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