Search Results - "Toutounji, Mohamad"
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Empirical asymmetric phonon sideband due to phonons in the protein matrix present in photosynthetic complexes: Time-domain response theory
Published in Biophysical reports (13-03-2024)“…The phonon spectral density plays a key role in probing the dynamical and spectral behavior of molecular aggregates. One may utilize the intimate connection…”
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Morse Oscillator Propagator Using its Coherent States: Exact and Approximate
Published in International journal of theoretical physics (01-02-2020)“…Morse oscillator coherent states are employed to derive an analytical expression of its off-diagonal propagator. An exact expression for the Morse oscillator…”
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3
Vibration assisted electron tunnelling in COVID-19 infection using quantum state diffusion
Published in Scientific reports (27-05-2024)“…The spread of the COVID-19 virus has become a global health crisis, and finding effective treatments and preventions is a top priority. The field of quantum…”
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Dextran Sodium Sulfate-Induced Impairment of Protein Trafficking and Alterations in Membrane Composition in Intestinal Caco-2 Cell Line
Published in International journal of molecular sciences (15-04-2020)“…A key morphological feature of inflammatory bowel disease (IBD) is the loss of the barrier function of intestinal epithelial cells. The present study…”
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Rosa canina L . Can Restore Endoplasmic Reticulum Alterations, Protein Trafficking and Membrane Integrity in a Dextran Sulfate Sodium-Induced Inflammatory Bowel Disease Phenotype
Published in Nutrients (29-01-2021)“… is a natural polyphenol-rich medicinal plant that exhibits antioxidant and anti-inflammatory activities. Recent in vivo studies have demonstrated that a…”
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6
Homogeneous Dephasing in Photosynthetic Bacterial Reaction Centers: Time Correlation Function Approach
Published in Chemphyschem (15-01-2024)“…A new tractable linear electronic transition dipole moment time correlation function (ETDMTCF) that accurately accounts for electronic dephasing, asymmetry,…”
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Mixed Quantum-Classical Liouville Equation Treatment of Electronic Spectroscopy of Condensed Systems: Harmonic and Anharmonic Electron–Phonon Coupling
Published in Journal of chemical theory and computation (11-07-2023)“…This Review integrates the use of electronic optical response function theory and the mixed quantum-classical (MQC) Liouville equation (MQCLE), thereby leading…”
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Low-temperature vibronic spectroscopy of condensed chromophore exhibiting inhomogeneous distribution of vibrational frequencies in a mixed quantum-classical environment
Published in Physical chemistry chemical physics : PCCP (04-01-2023)“…This work has been motivated by the recent paper by the author [M. Toutounji, , 2021, , 21981] whereby a mixed quantum-classical Liouville equation was used to…”
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Excited state distribution function for probing Herzberg–Teller vibronic coupling using linear optical response theory: Application to glassy pheophytin a
Published in Journal of computational chemistry (05-10-2021)“…The goal of the present work is to develop an excited‐state distribution function that can be used to calculate electronic transition dipole moment time…”
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Electronic dephasing in mixed quantum–classical molecular systems using the spin-boson model
Published in Physica A (01-01-2022)“…Pure electronic dephasing is investigated using the spin-boson Hamiltonian in mixed quantum–classical environment. The spin-boson model used here is a…”
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Spectroscopy of Vibronically Coupled and Duschinskcally Rotated Polyatomic Molecules
Published in Journal of chemical theory and computation (10-03-2020)“…Electron-vibration coupling (or vibronic coupling) of polyatomic molecules in the condensed phase has received considerable attention experimentally and…”
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Linear and nonlinear Herzberg-Teller vibronic coupling effects. I: Electronic photon echo spectroscopy
Published in Chemical physics (01-05-2019)“…The dependence of the transition dipole moment on nuclear coordinates gives rise to non-Condon interaction, signaling that the adiabatic Herzberg-Teller…”
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A deeper look into Herzberg-Teller vibronic coupling effect and spectroscopic signature of non-Condon systems
Published in Chemical physics (01-07-2019)“…[Display omitted] A physical explanation with rigorous basis for the newly emerging vibrational progressions due Herzberg-Teller vibronic coupling that show up…”
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Linear and nonlinear Herzberg−Teller vibronic coupling effects. II: Hole-burning and fluorescence line narrowing spectroscopy
Published in Chemical physics (01-09-2019)“…Part I of this series showed that Herzberg-Teller vibronic coupling manifests itself in linear spectroscopy through the breakdown of the mirror image symmetry…”
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Morse oscillator propagator in the high temperature limit II: Quantum dynamics and spectroscopy
Published in Annals of physics (01-04-2018)“…This paper is a continuation of Paper I (Toutounji, 2017) of which motivation was testing the applicability of Morse oscillator propagator whose analytical…”
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Morse oscillator propagator in the high temperature limit I: Theory
Published in Annals of physics (01-02-2017)“…In an earlier work of the author the time evolution of Morse oscillator was studied analytically and exactly at low temperatures whereupon optical correlation…”
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Electronic energy gap correlation function and spectral density of anharmonic molecules at low temperatures I: Theory
Published in Chemical physics letters (02-01-2015)“…•The electronic energy gap correlation function of anharmonic molecules is derived.•The corresponding anharmonic spectral density is analytically derived.•A…”
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Electronic energy gap correlation function and spectral density of anharmonic molecules at low temperatures. II: Spectroscopy
Published in Chemical physics letters (01-06-2015)“…•An anharmonic line broadening function is derived.•This function may be fitted into the Brownian oscillator model.•It may also directly be used in calculating…”
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A new methodology for dealing with time-dependent quantities in anharmonic molecules I: theory
Published in Theoretical chemistry accounts (01-04-2014)“…Morse oscillator coherent states tool has not witnessed much use or applications in quantum dynamics and non-equilibrium statistical mechanics due to the lack…”
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Testing the Condon Approximation for Electron Transfer via the Mulliken−Hush Model
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (21-09-2000)“…For nonadiabatic electron-transfer reactions, it is common to make a Condon approximation assumption that the mixing matrix element is independent of nuclear…”
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