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Physical Chemistry Chemical Physics : PCCP|October 22, 2025
The simulation of X-ray absorption spectra including vibronic coupling: application of the QD-DFT/MRCI(2) methodMartha Yaghoubi Jouybari, Simon P Neville, Michael S Schuurman
The Journal of Physical Chemistry Letters|August 21, 2025
Femtosecond Core-Level Charge TransferSimon P Neville, Martha Yaghoubi Jouybari, Michael S Schuurman
Physical Chemistry Chemical Physics : PCCP|November 14, 2020
Quantum dynamics of the ππ*/nπ* decay of the epigenetic nucleobase 1,5-dimethyl-cytosine in the gas phaseMartha Yaghoubi Jouybari, Yanli Liu, Roberto Improta, et al.
Journal of Chemical Theory and Computation|July 21, 2020
Ultrafast Dynamics of the Two Lowest Bright Excited States of Cytosine and 1-Methylcytosine: A Quantum Dynamical StudyMartha Yaghoubi Jouybari, Yanli Liu, Roberto Improta, et al.
The Journal of Physical Chemistry. A|October 5, 2021
The Ultrafast Quantum Dynamics of Photoexcited Adenine-Thymine Basepair Investigated with a Fragment-based Diabatization and a Linear Vibronic Coupling ModelMartha Yaghoubi Jouybari, James A Green, Roberto Improta, et al.
Molecules (Basel, Switzerland)|April 3, 2021
Nonadiabatic Absorption Spectra and Ultrafast Dynamics of DNA and RNA Photoexcited NucleobasesJames A Green, Martha Yaghoubi Jouybari, Daniel Aranda, et al.
Journal of Chemical Theory and Computation|July 16, 2021
Fragment Diabatization Linear Vibronic Coupling Model for Quantum Dynamics of Multichromophoric Systems: Population of the Charge-Transfer State in the Photoexcited Guanine-Cytosine PairJames A Green, Martha Yaghoubi Jouybari, Haritha Asha, et al.
The Journal of Physical Chemistry. A|January 20, 2025
Effect of A-DNA and B-DNA Conformation on the Interplay between Local Excitations and Charge-Transfer States in the Ultrafast Decay of Guanine-Cytosine Stacked Dimers: A Quantum Dynamical InvestigationMohammad Aarabi, Martha Yaghoubi Jouybari, Qiushuang Xu, et al.
The Journal of Chemical Physics|March 16, 2021
Parameterization of a linear vibronic coupling model with multiconfigurational electronic structure methods to study the quantum dynamics of photoexcited pyreneFlavia Aleotti, Daniel Aranda, Martha Yaghoubi Jouybari, et al.
The Journal of Physical Chemistry. A|September 13, 2022
Nonadiabatic Vibrational Resonance Raman Spectra from Quantum Dynamics Propagations with LVC Models. Application to ThymineQiushuang Xu, Daniel Aranda, Martha Yaghoubi Jouybari, et al.
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