| Multiple coherent states semiclassical initial value representation spectra calculations of lateral interactions for CO on Cu (100) M Ceotto, D Dell’Angelo, GF Tantardini The Journal of chemical physics 133 (5), 2010 | 49 | 2010 |
| Excited Li and Na in Hen: Influence of the dimer potential energy curves D Dell’Angelo, G Guillon, A Viel The Journal of Chemical Physics 136 (11), 2012 | 27 | 2012 |
| Exciton dissociation in a model organic interface: Excitonic state-based surface hopping versus multiconfigurational time-dependent hartree WT Peng, D Brey, S Giannini, D Dell’Angelo, I Burghardt, J Blumberger The Journal of Physical Chemistry Letters 13 (31), 7105-7112, 2022 | 24 | 2022 |
| Dynamic local structure in caesium lead iodide: spatial correlation and transient domains WJ Baldwin, X Liang, J Klarbring, M Dubajic, D Dell'Angelo, C Sutton, ... Small 20 (3), 2303565, 2024 | 22 | 2024 |
| Self-consistent filtering scheme for efficient calculations of observables via the mixed quantum-classical Liouville approach D Dell’Angelo, G Hanna Journal of Chemical Theory and Computation 12 (2), 477-485, 2016 | 14 | 2016 |
| Metal-to-Semiconductor Transition in Two-Dimensional Metal–Organic Frameworks: An Ab Initio Dynamics Perspective Z Zhang, D Dell’Angelo, MR Momeni, Y Shi, FA Shakib ACS Applied Materials & Interfaces 13 (21), 25270-25279, 2021 | 13 | 2021 |
| Tuning electronic properties of conductive 2D layered metal–organic frameworks via host–guest interactions: Dioxygen as an electroactive chemical stimuli MR Momeni, Z Zhang, D Dell’Angelo, FA Shakib APL Materials 9 (5), 2021 | 12 | 2021 |
| Gauging van der Waals interactions in aqueous solutions of 2D MOFs: when water likes organic linkers more than open-metal sites MR Momeni, Z Zhang, D Dell'Angelo, FA Shakib Physical Chemistry Chemical Physics 23 (4), 3135-3143, 2021 | 12 | 2021 |
| Computational chemistry and the study and design of catalysts D Dell’Angelo Green Chemistry and Computational Chemistry, 299-332, 2022 | 11 | 2022 |
| Dynamics in the quantum/classical limit based on selective use of the quantum potential S Garashchuk, D Dell’Angelo, VA Rassolov The Journal of Chemical Physics 141 (23), 2014 | 8 | 2014 |
| A novel application of HKUST-1 for textile dyes removal in single and binary solutions: Experimental investigation combined with physical modelling L Sellaoui, F Edi-Soetaredjo, M Mohamed, S Ismadji, B Ernst, ... Chemical Engineering Journal 480, 147958, 2024 | 6 | 2024 |
| Importance of eigenvector sign consistency in computations of expectation values via mixed quantum-classical surface-hopping dynamics D Dell’Angelo, G Hanna Theoretical Chemistry Accounts 136 (6), 75, 2017 | 6 | 2017 |
| Using multi-state transition filtering to improve the accuracy of expectation values via mixed quantum-classical Liouville dynamics D Dell’Angelo, G Hanna AIP Conference Proceedings 1790 (1), 2016 | 5 | 2016 |
| Classical limit of quantum nuclear dynamics based on selective use of the quantum potential S Garashchuk, D Dell’Angelo, VA Rassolov J. Chem. Phys 141, 234107, 2014 | 5 | 2014 |
| Modeling energy transfer and absorption spectra in layered metal–organic frameworks based on a Frenkel–Holstein Hamiltonian D Dell’Angelo, MR Momeni, S Pearson, FA Shakib The Journal of Chemical Physics 156 (4), 2022 | 3 | 2022 |
| On the performance of multi-state transition filtering in mixed quantum-classical Liouville surface-hopping simulations: beyond two-and three-state quantum subsystems D Dell’Angelo, G Hanna Theoretical Chemistry Accounts 137 (2), 15, 2018 | 2 | 2018 |
| Downscaling an open quantum system: An atomistic approach applied to photovoltaics D Dell’Angelo, SE Brown, MRM Taheri, FA Shakib Green Chemistry and Computational Chemistry, 147-181, 2022 | 1 | 2022 |
| Quantum Study of Helium Clusters Doped with Electronically Excited Li, Na, K and Rb Atoms D Dell’Angelo International Workshop on Quantum Systems in Chemistry, Physics, and Biology …, 2018 | 1 | 2018 |
| A model platform for rapid, robust, directed, and long-range vibrational energy transport: Insights from a mixed quantum-classical study of a 1D molecular chain M Li, H Freedman, D Dell’Angelo, G Hanna AIP Conference Proceedings 1906 (1), 2017 | 1 | 2017 |
| Many-Body MYP2 Force-Field: Toward the Crystal Growth Modeling of Hybrid Perovskites A Mattoni, S Argiolas, G Cozzolino, D Dell’Angelo, A Filippetti, C Caddeo Journal of Chemical Theory and Computation 20 (15), 6781-6789, 2024 | | 2024 |
