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Journal Articles
Journal Articles
Probing exciton diffusion dynamics in photosynthetic supercomplexes via exciton–exciton annihilation
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 164201 (2025)
Published: April 2025
Journal Articles
A molecular dynamics simulation study of EthylChlorophyllide A molecules confined in a SiO2 nanoslit
Available to Purchase
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 161, 144703 (2024)
Published: October 2024
Journal Articles
Calculation of quasi-diabatic states within the DFT/MRCI(2) framework: The QD-DFT/MRCI(2) method
Available to Purchase
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 160, 234109 (2024)
Published: June 2024
Includes: Supplementary data
Journal Articles
A DFT/MRCI Hamiltonian parameterized using only ab initio data: I. valence excited states
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 160, 224106 (2024)
Published: June 2024
Journal Articles
Unraveling the excited-state vibrational cooling dynamics of chlorophyll-a using femtosecond broadband fluorescence spectroscopy
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 160, 205101 (2024)
Published: May 2024
Journal Articles
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 160, 184114 (2024)
Published: May 2024
Includes: Supplementary data
Journal Articles
PigmentHunter: A point-and-click application for automated chlorophyll-protein simulations
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 160, 154111 (2024)
Published: April 2024
Includes: Supplementary data
Journal Articles
Chlorophyll and pheophytin protonated and deprotonated ions: Observation and theory
Available to PurchaseM. Diop, M. El-Hayek, J. Attard, A. Muhieddine, V. Veremeienko, S. Soorkia, Ph. Carbonnière, A. de la Lande, B. Soep, N. Shafizadeh
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 159, 194308 (2023)
Published: November 2023
Includes: Supplementary data
Journal Articles
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 158, 054115 (2023)
Published: February 2023
Includes: Supplementary data
Journal Articles
Building on the strengths of a double-hybrid density functional for excitation energies and inverted singlet-triplet energy gaps
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 158, 024116 (2023)
Published: January 2023
Includes: Supplementary data
Journal Articles
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 158, 024107 (2023)
Published: January 2023
Includes: Supplementary data
Journal Articles
Extracting the excitonic Hamiltonian of a chlorophyll dimer from broadband two-dimensional electronic spectroscopy
Available to PurchaseKristina Zakutauskaitė, Mindaugas Mačernis, Hoang H. Nguyen, Jennifer P. Ogilvie, Darius Abramavičius
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 158, 015103 (2023)
Published: January 2023
Includes: Supplementary data
Journal Articles
A two-site triplet exciton hopping model: Application to 3P700
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 157, 224109 (2022)
Published: December 2022
Journal Articles
Accuracy of approximate methods for the calculation of absorption-type linear spectra with a complex system–bath coupling
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 157, 095103 (2022)
Published: September 2022
Includes: Supplementary data
Journal Articles
Structure-based model of fucoxanthin–chlorophyll protein complex: Calculations of chlorophyll electronic couplings
Available to PurchaseAustėja Mikalčiūtė, Andrius Gelzinis, Mindaugas Mačernis, Claudia Büchel, Bruno Robert, Leonas Valkunas, Jevgenij Chmeliov
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 156, 234101 (2022)
Published: June 2022
Includes: Supplementary data
Journal Articles
A trust-region augmented Hessian implementation for state-specific and state-averaged CASSCF wave functions
Open Access
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 156, 204104 (2022)
Published: May 2022
Journal Articles
Journal Articles
Ultrafast excited state dynamics in the monomeric and trimeric photosystem I core complex of Spirulina platensis probed by two-dimensional electronic spectroscopy
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 156, 164202 (2022)
Published: April 2022
Includes: Supplementary data
Journal Articles
Ultrafast excitation quenching by the oxidized photosystem II reaction center
Available to PurchaseParveen Akhtar, Gábor Sipka, Wenhui Han, Xingyue Li, Guangye Han, Jian-Ren Shen, Győző Garab, Howe-Siang Tan, Petar H. Lambrev
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 156, 145101 (2022)
Published: April 2022
Includes: Supplementary data
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