H. Asha, J. A. Green, L. Esposito, F. Santoro, \& R. Improta, "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", Chirality, 2023, 35, 298
H. Asha, J. A. Green, L. Esposito, L. Martinez-Fernandez, F. Santoro, & R. Improta, "Effect of the thermal fluctuations of the photophysics of GC and CG DNA steps: A computational dynamical study", J. Phys. Chem. B, 2022, 126, 10608
J. A. Green, S. Gomez, G. A. Worth, F. Santoro, & R. Improta, "Solvent effects on ultrafast charge transfer population: insights from the quantum dynamics of guanine-cytosine in chloroform", Chem. Eur. J., 2022, 57, e202201731
A. Segalina, D. Aranda, J. A. Green, V. Cristino, S. Caramori, G. Prampolini, M. Pastore, & F. Santoro, "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.", J. Chem. Theory Comput., 2022, 18, 3718
M. Yaghoubi Jouybari, J. A. Green, R. Improta, & F. Santoro, "The ultrafast quantum dynamics of photoexcited adenine-thymine basepair investigated with a fragment-based diabatisation and a linear vibronic coupling model", J. Phys. Chem. A, 2021, 125, 8912
H. Asha, J. A. Green, L. Martinez-Fernandez, L. Esposito, & R. Improta, "Electronic circular dichroism spectra of DNA quadruple helices studied by molecular dynamics simulations and excitonic calculations including charge transfer states", Molecules, 2021, 26, 4789
J. A. Green, M. Yaghoubi Jouybari, H. Asha, F. Santoro, & R. Improta, "Fragment diabatization linear vibronic coupling model for quantum dynamics of multichromophoric systems: population of the charge-transfer state in the photoexcited guanine–cytosine pair", J. Chem. Theory. Comput., 2021, 17, 4660
J. A. Green, M. Yaghoubi Jouybari, D. Aranda, R. Improta, & F. Santoro, "Nonadiabatic absorption spectra and ultrafast dynamics of DNA and RNA photoexcited nucleobases", Molecules, 2021, 26, 1743
F. Santoro, J. A. Green, L. Martinez-Fernandez, J. Cerezo, & R. Improta, "Quantum and semiclassical dynamical studies of nonadiabatic processes in solution: achievements and perspectives", Phys. Chem. Chem. Phys., 2021, 23, 8181
J. A. Green, H. Asha, F. Santoro, & R. Improta, "Excitonic model for strongly coupled multichromophoric systems: the electronic circular dichroism spectra of guanine quadruplexes as test cases", J. Chem. Theory. Comput., 2021, 17, 405
J. A. Green & R. Improta, "Vibrations of the guanine–cytosine pair in chloroform: an anharmonic computational study", Phys. Chem. Chem. Phys., 2020, 22, 5509
J. A. Green & D. V. Shalashilin, "Simulation of the quantum dynamics of indistinguishable bosons with the method of coupled coherent states", Phys. Rev. A, 2019, 100, 013607
C. Symonds, D. V. Makhov, N. C. Cole-Filipiak, J. A. Green, V. G. Stavros, & D. V. Shalashilin, "Ultrafast photodissociation dynamics of pyrazole, imidazole and their deuterated derivatives using ab initio multiple cloning", Phys. Chem. Chem. Phys., 2019, 21, 9987
J. A. Green, D. V. Makhov, N. C. Cole-Filipiak, C. Symonds, V. G. Stavros, & D. V. Shalashilin, "Ultrafast photodissociation dynamics of 2-ethylpyrrole: adding insight to experiment with ab initio multiple cloning", Phys. Chem. Chem. Phys., 2019, 21, 3832
J. A. Green, A. Grigolo, M. Ronto, & D. V. Shalashilin, "A two-layer approach to the coupled coherent states method", J. Chem. Phys., 2016, 144, 024111
J. A. Green & D. V. Shalashilin, "Benchmark calculation for tunnelling through a multidimensional asymmetric double well potential", Chem. Phys. Lett., 2015, 641, 173
A. Borgoo, J. A. Green, & D. J. Tozer, "Molecular Binding in Post-Kohn–Sham Orbital-Free DFT ", J. Chem. Theory Comput., 2014, 10, 5338
J. A. Green, S. J. Irudayam, & R. H. Henchman, "Molecular interpretation of Trouton’s and Hildebrand’s rules for the entropy of vaporization of a liquid", J. Chem. Therm., 2011, 43, 868