| 2024 | Green, James A. and Brey, Dominik and Razgatlioglu, Leyla P. and Ali, Badria and Błasiak, Bartosz and Burghardt, Irene: Internal Conversion Cascade in a Carbon Nanobelt: A Multiconfigurational Quantum Dynamical Study. In: Journal of Chemical Theory and Computation, 20, 2024, 8127-8139 |
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| 2024 | Blaise, Nadine and Green, James A. and Benitez-Martin, Carlos and Kaiser, Christoph and Braun, Markus and Schaible, Jonas M. and Andréasson, Joakim and Burghardt, Irene and Wachtveitl, Josef: Isomerization dynamics of a novel cis/trans-only merocyanine. In: ChemPhotoChem, 8, 2024, e202300327 |
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| 2024 | Cigrang, L. L. E. and Green, J. A. and Gómez, S. and Cerezo, J. and Improta, R. and Prampolini, G. and Santoro, F. and Worth, G. A.: Non-adiabatic direct quantum dynamics using force fields: Toward solvation. In: The Journal of Chemical Physics, 160, 2024, 174120 |
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| 2024 | Martínez-Fernández, Lara and Green, James Alexander and Esposito, Luciana and Jouybari, Martha Yaghoubi and Zhang, Yuyuan and Santoro, Fabrizio and Kohler, Bern and Improta, Roberto: The photoactivated dynamics of dGpdC and dCpdG sequences in DNA: a comprehensive quantum mechanical study. In: Chem. Sci., 15, 2024, 9676-9693 |
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| 2023 | Asha, Haritha and Green, James A. and Esposito, Luciana and Santoro, Fabrizio and Improta, Roberto: Computing the electronic circular dichroism spectrum of DNA quadruple helices of different topology: A critical test for a generalized excitonic model based on a fragment diabatization. In: Chirality, 35, 2023, 298-310 |
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| 2022 | Asha, Haritha and Green, James A. and Esposito, Luciana and Martinez-Fernandez, Lara and Santoro, Fabrizio and Improta, Roberto: Effect of the Thermal Fluctuations of the Photophysics of GC and CG DNA Steps: A Computational Dynamical Study. In: The Journal of Physical Chemistry B, 126, 2022, 10608-10621 |
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| 2022 | Segalina, Alekos and Aranda, Daniel and Green, James A. and Cristino, Vito and Caramori, Stefano and Prampolini, Giacomo and Pastore, Mariachiara and Santoro, Fabrizio: How the Interplay among Conformational Disorder, Solvation, Local, and Charge-Transfer Excitations Affects the Absorption Spectrum and Photoinduced Dynamics of Perylene Diimide Dimers: A Molecular Dynamics/Quantum Vibronic Approach. In: Journal of Chemical Theory and Computation, 18, 2022, 3718-3736 |
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| 2022 | Green, James A. and Gómez, Sandra and Worth, Graham and Santoro, Fabrizio and Improta, Roberto: Solvent Effects on Ultrafast Charge Transfer Population: Insights from the Quantum Dynamics of Guanine-Cytosine in Chloroform. In: Chemistry – A European Journal, 28, 2022, e202201731 |
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| 2021 | Asha, Haritha and Green, James A. and Martinez-Fernandez, Lara and Esposito, Luciana and Improta, Roberto: Electronic Circular Dichroism Spectra of DNA Quadruple Helices Studied by Molecular Dynamics Simulations and Excitonic Calculations including Charge Transfer States. In: Molecules, 26, 2021, |
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| 2021 | Green, James A. and Asha, Haritha and Santoro, Fabrizio and Improta, Roberto: Excitonic Model for Strongly Coupled Multichromophoric Systems: The Electronic Circular Dichroism Spectra of Guanine Quadruplexes as Test Cases. In: Journal of Chemical Theory and Computation, 17, 2021, 405-415 |
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| 2021 | Green, James A. and Yaghoubi Jouybari, Martha and Asha, Haritha and Santoro, Fabrizio and Improta, Roberto: Fragment Diabatization Linear Vibronic Coupling Model for Quantum Dynamics of Multichromophoric Systems: Population of the Charge-Transfer State in the Photoexcited Guanine–Cytosine Pair. In: Journal of Chemical Theory and Computation, 17, 2021, 4660-4674 |
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| 2021 | Green, James A. and Jouybari, Martha Yaghoubi and Aranda, Daniel and Improta, Roberto and Santoro, Fabrizio: Nonadiabatic Absorption Spectra and Ultrafast Dynamics of DNA and RNA Photoexcited Nucleobases. In: Molecules, 26, 2021, |
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| 2021 | Santoro, Fabrizio and Green, James A. and Martinez-Fernandez, Lara and Cerezo, Javier and Improta, Roberto: Quantum and semiclassical dynamical studies of nonadiabatic processes in solution: achievements and perspectives. In: Phys. Chem. Chem. Phys., 23, 2021, 8181-8199 |
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| 2021 | Jouybari, Martha Yaghoubi and Green, James A. and Improta, Roberto and Santoro, Fabrizio: The Ultrafast Quantum Dynamics of Photoexcited Adenine–Thymine Basepair Investigated with a Fragment-based Diabatization and a Linear Vibronic Coupling Model. In: The Journal of Physical Chemistry A, 125, 2021, 8912-8924 |
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| 2020 | Green, James A. and Improta, Roberto: Vibrations of the guanine–cytosine pair in chloroform: an anharmonic computational study. In: Phys. Chem. Chem. Phys., 22, 2020, 5509-5522 |
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| 2019 | Green, James A. and Shalashilin, Dmitrii V.: Simulation of the quantum dynamics of indistinguishable bosons with the method of coupled coherent states. In: Phys. Rev. A, 100, 2019, 013607 |
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| 2019 | Green, James A. and Makhov, Dmitry V. and Cole-Filipiak, Neil C. and Symonds, Christopher and Stavros, Vasilios G. and Shalashilin, Dmitrii V.: Ultrafast photodissociation dynamics of 2-ethylpyrrole: adding insight to experiment with ab initio multiple cloning. In: Phys. Chem. Chem. Phys., 21, 2019, 3832-3841 |
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| 2019 | Symonds, Christopher C. and Makhov, Dmitry V. and Cole-Filipiak, Neil C. and Green, James A. and Stavros, Vasilios G. and Shalashilin, Dmitrii V.: Ultrafast photodissociation dynamics of pyrazole{,} imidazole and their deuterated derivatives using ab initio multiple cloning. In: Phys. Chem. Chem. Phys., 21, 2019, 9987-9995 |
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| 2016 | Green, James A. and Grigolo, Adriano and Ronto, Miklos and Shalashilin, Dmitrii V.: A two-layer approach to the coupled coherent states method. In: The Journal of Chemical Physics, 144, 2016, 024111 |
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| 2015 | James A. Green and Dmitrii V. Shalashilin: Benchmark calculation for tunnelling through a multidimensional asymmetric double well potential. In: Chemical Physics Letters, 641, 2015, 173-180 |
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| 2014 | Borgoo, Alex and Green, James A. and Tozer, David J.: Molecular Binding in Post-Kohn–Sham Orbital-Free DFT. In: Journal of Chemical Theory and Computation, 10, 2014, 5338-5345 |
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| 2011 | James A. Green and Sheeba Jem Irudayam and Richard H. Henchman: Molecular interpretation of Trouton’s and Hildebrand’s rules for the entropy of vaporization of a liquid. In: The Journal of Chemical Thermodynamics, 43, 2011, 868-872 |
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