Search Results - "Jouybari, Martha Yaghoubi"

Ultrafast Dynamics of the Two Lowest Bright Excited States of Cytosine and 1‑Methylcytosine: A Quantum Dynamical Study by Yaghoubi Jouybari, Martha, Liu, Yanli, Improta, Roberto, Santoro, Fabrizio

“…The nonadiabatic quantum dynamics (QD) of cytosine and 1-methylcytosine in the gas phase is simulated for 250 fs after a photoexcitation to one of the first…”
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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 by Green, James A, Yaghoubi Jouybari, Martha, Asha, Haritha, Santoro, Fabrizio, Improta, Roberto

“…We introduce a method (FrD-LVC) based on a fragment diabatization (FrD) for the parametrization of a linear vibronic coupling (LVC) model suitable for studying…”
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Quantum dynamics of the ππ/nπ decay of the epigenetic nucleobase 1,5-dimethyl-cytosine in the gas phase by Yaghoubi Jouybari, Martha, Liu, Yanli, Improta, Roberto, Santoro, Fabrizio

“…We study the ultrafast dynamics of 1,5-dimethyl-cytosine, a model for 5-methyl-cytidine, after photoexcitation to the first two bright ππ* states, focusing on…”
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Nonadiabatic Vibrational Resonance Raman Spectra from Quantum Dynamics Propagations with LVC Models. Application to Thymine by Xu, Qiushuang, Aranda, Daniel, Yaghoubi Jouybari, Martha, Liu, Yanli, Wang, Meishan, Cerezo, Javier, Improta, Roberto, Santoro, Fabrizio

“…We present a viable protocol to compute vibrational resonance Raman (vRR) spectra for systems with several close-lying and potentially coupled electronic…”
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Nonadiabatic Absorption Spectra and Ultrafast Dynamics of DNA and RNA Photoexcited Nucleobases by Green, James A, Jouybari, Martha Yaghoubi, Aranda, Daniel, Improta, Roberto, Santoro, Fabrizio

“…We have recently proposed a protocol for Quantum Dynamics (QD) calculations, which is based on a parameterisation of Linear Vibronic Coupling (LVC)…”
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The photoactivated dynamics of dGpdC and dCpdG sequences in DNA: a comprehensive quantum mechanical study by Martínez-Fernández, Lara, Green, James Alexander, Esposito, Luciana, Jouybari, Martha Yaghoubi, Zhang, Yuyuan, Santoro, Fabrizio, Kohler, Bern, Improta, Roberto

“…Study of alternating DNA GC sequences by different time-resolved spectroscopies has provided fundamental information on the interaction between UV light and…”
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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 by Jouybari, Martha Yaghoubi, Green, James A., Improta, Roberto, Santoro, Fabrizio

“…In this contribution we present a quantum dynamical study of the photoexcited hydrogen bonded base pair adenine–thymine (AT) in a Watson–Crick arrangement. To…”
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Femtosecond Core-Level Charge Transfer by Neville, Simon P, Jouybari, Martha Yaghoubi, Schuurman, Michael S

“…Charge transfer is a fundamental phenomenon in biology and chemistry, and involves the movement of charge through a system driven by nuclear dynamics. Because…”
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