| Quantum and semiclassical dynamical studies of nonadiabatic processes in solution: achievements and perspectives F Santoro, JA Green, L Martinez-Fernandez, J Cerezo, R Improta Physical Chemistry Chemical Physics 23 (14), 8181-8199, 2021 | 31 | 2021 |
| Nonadiabatic Absorption Spectra and Ultrafast Dynamics of DNA and RNA Photoexcited Nucleobases JA Green, MY Jouybari, D Aranda, R Improta, F Santoro Molecules 26 (6), 1743, 2021 | 29 | 2021 |
| Molecular binding in post-Kohn–Sham orbital-free DFT A Borgoo, JA Green, DJ Tozer Journal of chemical theory and computation 10 (12), 5338-5345, 2014 | 27 | 2014 |
| A two-layer approach to the coupled coherent states method JA Green, A Grigolo, M Ronto, DV Shalashilin The Journal of Chemical Physics 144 (2), 2016 | 25 | 2016 |
| Fragment Diabatization Linear Vibronic Coupling Model for Quantum Dynamics of Multichromophoric Systems: Population of the Charge-Transfer State in the Photoexcited Guanine … JA Green, M Yaghoubi Jouybari, H Asha, F Santoro, R Improta Journal of Chemical Theory and Computation 17 (8), 4660-4674, 2021 | 24 | 2021 |
| Excitonic Model for Strongly Coupled Multichromophoric Systems: The Electronic Circular Dichroism Spectra of Guanine Quadruplexes as Test Cases JA Green, H Asha, F Santoro, R Improta Journal of Chemical Theory and Computation 17 (1), 405-415, 2020 | 22 | 2020 |
| How the Interplay among Conformational Disorder, Solvation, Local, and Charge-Transfer Excitations Affects the Absorption Spectrum and Photoinduced Dynamics of Perylene Diimide … A Segalina, D Aranda, JA Green, V Cristino, S Caramori, G Prampolini, ... Journal of Chemical Theory and Computation 18 (6), 3718-3736, 2022 | 19 | 2022 |
| Ultrafast photodissociation dynamics of 2-ethylpyrrole: adding insight to experiment with ab initio multiple cloning JA Green, DV Makhov, NC Cole-Filipiak, C Symonds, VG Stavros, ... Physical Chemistry Chemical Physics 21 (7), 3832-3841, 2019 | 16 | 2019 |
| Molecular interpretation of Trouton’s and Hildebrand’s rules for the entropy of vaporization of a liquid JA Green, SJ Irudayam, RH Henchman The Journal of Chemical Thermodynamics 43 (6), 868-872, 2011 | 13 | 2011 |
| Simulation of the quantum dynamics of indistinguishable bosons with the method of coupled coherent states JA Green, DV Shalashilin Physical Review A 100 (1), 013607, 2019 | 10 | 2019 |
| Effect of the thermal fluctuations of the photophysics of GC and CG dna steps: a computational dynamical study H Asha, JA Green, L Esposito, L Martinez-Fernandez, F Santoro, ... The Journal of Physical Chemistry B 126 (50), 10608-10621, 2022 | 9 | 2022 |
| Ultrafast photodissociation dynamics of pyrazole, imidazole and their deuterated derivatives using ab initio multiple cloning CC Symonds, DV Makhov, NC Cole-Filipiak, JA Green, VG Stavros, ... Physical Chemistry Chemical Physics 21 (19), 9987-9995, 2019 | 9 | 2019 |
| Benchmark calculation for tunnelling through a multidimensional asymmetric double well potential JA Green, DV Shalashilin Chemical Physics Letters 641, 173-180, 2015 | 8 | 2015 |
| The Ultrafast Quantum Dynamics of Photoexcited Adenine–Thymine Basepair Investigated with a Fragment-based Diabatization and a Linear Vibronic Coupling Model MY Jouybari, JA Green, R Improta, F Santoro The Journal of Physical Chemistry A 125 (40), 8912-8924, 2021 | 5 | 2021 |
| Vibrations of the guanine–cytosine pair in chloroform: an anharmonic computational study JA Green, R Improta Physical Chemistry Chemical Physics 22 (10), 5509-5522, 2020 | 5 | 2020 |
| Overdia 01, a Fortran 90 code for parametrization of model Hamiltonians based on a maximum-overlap diabatisation. 2022 F Santoro, JA Green | 5 | |
| 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 … H Asha, JA Green, L Esposito, F Santoro, R Improta Chirality 35 (5), 298-310, 2023 | 4 | 2023 |
| Solvent Effects on Ultrafast Charge Transfer Population: Insights from the Quantum Dynamics of Guanine‐Cytosine in Chloroform JA Green, S Gómez, G Worth, F Santoro, R Improta Chemistry–A European Journal 28 (57), e202201731, 2022 | 4 | 2022 |
| Electronic Circular Dichroism Spectra of DNA Quadruple Helices Studied by Molecular Dynamics Simulations and Excitonic Calculations Including Charge Transfer States H Asha, JA Green, L Martinez-Fernandez, L Esposito, R Improta Molecules 26 (16), 4789, 2021 | 3 | 2021 |
| Non-adiabatic direct quantum dynamics using force fields: Toward solvation LLE Cigrang, JA Green, S Gómez, J Cerezo, R Improta, G Prampolini, ... The Journal of Chemical Physics 160 (17), 2024 | | 2024 |
roberto improtaIBB-CNR在 unina.it 的电子邮件经过验证
