| Performance of frozen density embedding for modeling hole transfer reactions P Ramos, M Papadakis, M Pavanello The Journal of Physical Chemistry B 119 (24), 7541-7557, 2015 | 47 | 2015 |
| Low-lying excited states by constrained DFT P Ramos, M Pavanello The Journal of Chemical Physics 148 (14), 144103, 2018 | 45 | 2018 |
| Constrained subsystem density functional theory P Ramos, M Pavanello Physical Chemistry Chemical Physics 18 (31), 21172-21178, 2016 | 27 | 2016 |
| Quantifying environmental effects on the decay of hole transfer couplings in biosystems P Ramos, M Pavanello Journal of chemical theory and computation 10 (6), 2546-2556, 2014 | 25 | 2014 |
| Charged‐cell periodic DFT simulations via an impurity model based on density embedding: Application to the ionization potential of liquid water J Tölle, A Severo Pereira Gomes, P Ramos, M Pavanello International Journal of Quantum Chemistry, e25801, 2018 | 19 | 2018 |
| Efficient Free Triplet Generation Follows Singlet Fission in Diketopyrrolopyrrole Polymorphs with Goldilocks Coupling AM Levine, G He, G Bu, P Ramos, F Wu, A Soliman, J Serrano, D Pietraru, ... J. Phys. Chem. C 125 (22), 12207–1221, 2021 | 15 | 2021 |
| Ab-Initio Structure and Dynamics of CO2 at Supercritical Conditions MP Wenhui Mi, Pablo Ramos, Jack Maranhao The journal of physical chemistry letters, 2019 | 12 | 2019 |
| Structural transformation of Li-excess cathode materials via facile preparation and assembly of sonication-induced colloidal nanocrystals for enhanced lithium storage performance J Zhao, R Huang, P Ramos, Y Yue, Q Wu, M Pavanello, J Zhou, X Kuai, ... ACS applied materials & interfaces 9 (36), 31181-31191, 2017 | 7 | 2017 |
| Nonadiabatic couplings from a variational excited state method based on constrained DFT P Ramos, M Pavanello The Journal of Chemical Physics 154 (1), 014110, 2021 | 6 | 2021 |
| Probing charge transfer dynamics in a single iron tetraphenylporphyrin dyad adsorbed on an insulating surface P Ramos, M Mankarious, M Pavanello, D Riedel Nanoscale 10 (37), 17603-17616, 2018 | 5 | 2018 |
| A Critical Look at Methods for Calculating Charge Transfer Couplings Fast and Accurately P Ramos, M Mankarious, M Pavanello Practical Aspects of Computational Chemistry IV, 103-134, 2016 | 5 | 2016 |
| Role of dielectric screening in calculating excited states of solvated azobenzene: A benchmark study comparing quantum embedding and polarizable continuum model for … C Chakravarty, H Aksu, JA Martinez B, P Ramos, M Pavanello, ... The Journal of Physical Chemistry Letters 13 (22), 4849-4855, 2022 | 4 | 2022 |
| Capturing multireference excited states by constrained-density-functional theory N Karpinski, P Ramos, M Pavanello PHYSICAL REVIEW A 101 (3), 032510, 2020 | 4 | 2020 |
| Static Correlation Density Functional Theory P Ramos, M Pavanello arXiv preprint arXiv:1906.06661, 2019 | 4 | 2019 |
| Which Physical Phenomena Determine the Ionization Potential of Liquid Water? JA Martinez B, L Paetow, J Tölle, X Shao, P Ramos, J Neugebauer, ... The Journal of Physical Chemistry B 127 (24), 5470-5480, 2023 | 1 | 2023 |
| Erratum:“Low-lying excited states by constrained DFT”[J. Chem. Phys. 148, 144103 (2018)] P Ramos, M Pavanello The Journal of Chemical Physics 152 (10), 2020 | 1 | 2020 |
| Nonadiabatic Derivative Couplings through Multiple Franck–Condon Modes Dictate the Energy Gap Law for Near and Short-Wave Infrared Dye Molecules P Ramos, H Friedman, BY Li, C Garcia, E Sletten, JR Caram, SJ Jang The Journal of Physical Chemistry Letters 15, 1802-1810, 2024 | | 2024 |
| Theoretical and Experimental Exploration of Organic Synthesis Routes to Obtain Natural Rubber Analogues. D Gonzalez, D Ramirez, P Ramos, L Garcia Journal of Materials Science and Engineering A 4 (9), 290-296, 2014 | | 2014 |
| Distance dependent charge transfer couplings and excitation energies in solvated DNA and DNA-indol complexes P Ramos, M Pavanello ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 245, 2013 | | 2013 |
