| Charge transfer dynamics and molecular orientation probed by core electron spectroscopies on thermal-annealed polysilafluorene derivative: experimental and theoretical approaches Y Garcia-Basabe, CFN Marchiori, CEV de Moura, AB Rocha, LS Roman, ... The Journal of Physical Chemistry C 118 (41), 23863-23873, 2014 | 34 | 2014 |
| Simulating X-ray photoelectron spectra with strong electron correlation using multireference algebraic diagrammatic construction theory CEV de Moura, AY Sokolov Physical Chemistry Chemical Physics 24 (8), 4769-4784, 2022 | 20* | 2022 |
| The problem of hole localization in inner-shell states of N2 and CO2 revisited with complete active space self-consistent field approach AB Rocha, CEV de Moura The Journal of chemical physics 135 (22), 2011 | 16 | 2011 |
| Transition energy and potential energy curves for ionized inner-shell states of CO, O2 and N2 calculated by several inner-shell multiconfigurational approaches CEV de Moura, RR Oliveira, AB Rocha Journal of molecular modeling 19, 2027-2033, 2013 | 14 | 2013 |
| High-resolution near-edge x-ray absorption fine structure study of condensed polyacenes MLM Rocco, M Häming, CEV de Moura, M Barbatti, AB Rocha, A Scholl, ... The Journal of Physical Chemistry C 122 (50), 28692-28701, 2018 | 13 | 2018 |
| Transitions energies, optical oscillator strengths and partial potential energy surfaces of inner-shell states of water clusters BNC Tenório, CEV de Moura, RR Oliveira, AB Rocha Chemical Physics 508, 26-33, 2018 | 12 | 2018 |
| Breaking the disulfide chemical bond using high energy photons: the dimethyl disulfide and methyl propyl disulfide molecules LR Varas, LH Coutinho, RB Bernini, AM Betancourt, CEV De Moura, ... RSC advances 7 (58), 36525-36532, 2017 | 12 | 2017 |
| Electronic and structural properties in thermally annealed PSiF-DBT: PC71BM blends for organic photovoltaics BGAL Borges, CFN Marchiori, M Glaser, Y Garcia-Basabe, CEV de Moura, ... Thin Solid Films 615, 165-170, 2016 | 12 | 2016 |
| Additive driven increase in donor–acceptor copolymer coupling studied by x-ray resonant photoemission Y Garcia-Basabe, G Kladnik, CFN Marchiori, CEV De Moura, L Floreano, ... The Journal of Physical Chemistry C 121 (45), 25187-25194, 2017 | 9 | 2017 |
| Comparison among several vibronic coupling methods AD Torres, CEV de Moura, RR Oliveira, AB Rocha Journal of Molecular Modeling 28 (9), 253, 2022 | 6 | 2022 |
| VUV and soft x-ray ionization of a plant volatile: Vanillin (C8H8O3) AM Betancourt, LH Coutinho, RB Bernini, CEV De Moura, AB Rocha, ... The Journal of Chemical Physics 144 (11), 2016 | 6 | 2016 |
| Electron delocalisation in conjugated sulfur heterocycles probed by resonant Auger spectroscopy JB Martins, CEV de Moura, G Goldsztejn, O Travnikova, R Guillemin, ... Physical Chemistry Chemical Physics 24 (14), 8477-8487, 2022 | 5 | 2022 |
| Simulating transient X-ray photoelectron spectra of Fe (CO) 5 and its photodissociation products with multireference algebraic diagrammatic construction theory NP Gaba, CEV de Moura, R Majumder, AY Sokolov Physical Chemistry Chemical Physics 26 (22), 15927-15938, 2024 | 3 | 2024 |
| VUV and soft x-ray ionization of a plant volatile: Vanillin (C8H8O3) A Moreno Betancourt, LH Coutinho, RB Bernini, CEV de Moura, ... JOURNAL OF CHEMICAL PHYSICS 144 (11), 2016 | 2 | 2016 |
| Experimental and theoretical study of resonant core-hole spectroscopies of gas-phase free-base phthalocyanine CEV de Moura, J Laurent, J Bozek, M Briant, P Çarçabal, D Cubaynes, ... Physical Chemistry Chemical Physics 25 (22), 15555-15566, 2023 | 1 | 2023 |
| Efficient Spin-Adapted Implementation of Multireference Algebraic Diagrammatic Construction Theory. I. Core-Ionized States and X-ray Photoelectron Spectra CEV de Moura, AY Sokolov The Journal of Physical Chemistry A 128 (28), 5816-5831, 2024 | | 2024 |
| Simulating X-ray photoelectron spectra with strong electron correlation using multireference algebraic diagrammatic construction theory (vol 24, pg 4769, 2022) CEV de Moura, AY Sokolov PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24 (13), 8041-8046, 2022 | | 2022 |
| Photodissociation Dynamics of Ortho and Meta Fluorophenols: The Origin of Fast Protons J Toldo, CEV de Moura, Y Tang, B Zhang, M Barbatti | | 2020 |
| Breaking the disulfide chemical bond using high energy photons: the dimethyl disulfide and methyl propyl disulfide molecules LJ Ramírez Varas, LH Coutinho, RB Bernini, A Moreno Betancourt, ... | | 2017 |
| The effect of annealing on the electronic structure, morphology and charge transport in polymer: fullerene blends for photovoltaic MLM Rocco, Y Garcia-Basabe, AB Rocha, CEV de Moura, CFN Marchiori, ... | | |
