| Influence of electron correlation on the electronic structure and magnetism of transition-metal phthalocyanines IE Brumboiu, S Haldar, J Luder, O Eriksson, HC Herper, B Brena, ... Journal of chemical theory and computation 12 (4), 1772-1785, 2016 | 70 | 2016 |
| Manipulation of spin state of iron porphyrin by chemisorption on magnetic substrates S Bhandary, B Brena, PM Panchmatia, I Brumboiu, M Bernien, C Weis, ... Physical Review B—Condensed Matter and Materials Physics 88 (2), 024401, 2013 | 66 | 2013 |
| Elucidating the 3d electronic configuration in manganese phthalocyanine IE Brumboiu, R Totani, M de Simone, M Coreno, C Grazioli, L Lozzi, ... The Journal of Physical Chemistry A 118 (5), 927-932, 2014 | 58 | 2014 |
| XABOOM: An X-Ray Absorption Benchmark of Organic Molecules Based on Carbon, Nitrogen, and Oxygen 1s→ π∗ Transitions T Fransson, IE Brumboiu, ML Vidal, P Norman, S Coriani, A Dreuw J. Chem. Theory. Comput 17 (3), 1618-1637, 2021 | 56 | 2021 |
| Valence electronic structure of cobalt phthalocyanine from an optimally tuned range-separated hybrid functional IE Brumboiu, G Prokopiou, L Kronik, B Brena The Journal of Chemical Physics 147 (4), 2017 | 53 | 2017 |
| The influence of oxygen adsorption on the NEXAFS and core-level XPS spectra of the C60 derivative PCBM IE Brumboiu, L Ericsson, R Hansson, E Moons, O Eriksson, B Brena The Journal of chemical physics 142 (5), 2015 | 34 | 2015 |
| Lone-Pair Delocalization Effects within Electron Donor Molecules: The Case of Triphenylamine and Its Thiophene-Analog T Zhang, IE Brumboiu, C Grazioli, A Guarnaccio, M Coreno, M de Simone, ... The Journal of Physical Chemistry C 122 (31), 17706-17717, 2018 | 29 | 2018 |
| Conclusively addressing the CoPc electronic structure: a joint gas-phase and solid-state photoemission and absorption spectroscopy study T Zhang, IE Brumboiu, V Lanzilotto, J Lüder, C Grazioli, ... The Journal of Physical Chemistry C 121 (47), 26372-26378, 2017 | 27 | 2017 |
| Near-edge X-ray absorption fine structure study of the C 60-derivative PCBM IE Brumboiu, AS Anselmo, B Brena, A Dzwilewski, K Svensson, E Moons Chemical Physics Letters 568, 130-134, 2013 | 24 | 2013 |
| Gator: A Python-driven program for spectroscopy simulations using correlated wave functions DR Rehn, Z Rinkevicius, M Herbst, X Li, M Scheurer, M Brand, ... WIREs Comput Mol Sci, DOI: 10.1002/wcms.1528, 2021 | 19 | 2021 |
| Atomic contributions to the valence band photoelectron spectra of metal-free, iron and manganese phthalocyanines I Bidermane, IE Brumboiu, R Totani, C Grazioli, MN Shariati-Nilsson, ... Journal of Electron Spectroscopy and Related Phenomena 205, 92-97, 2015 | 19 | 2015 |
| Clarifying the adsorption of triphenylamine on Au (111): filling the HOMO–LUMO gap T Zhang, PHW Svensson, IE Brumboiu, V Lanzilotto, C Grazioli, ... The Journal of Physical Chemistry C 126 (3), 1635-1643, 2022 | 18 | 2022 |
| Core–hole delocalization for modeling x-ray spectroscopies: A cautionary tale IE Brumboiu, T Fransson The Journal of Chemical Physics 156 (21), 2022 | 17 | 2022 |
| Vibrational resonant inelastic X-ray scattering in liquid acetic acid: a ruler for molecular chain lengths V Savchenko, IE Brumboiu, V Kimberg, M Odelius, P Krasnov, JC Liu, ... Scientific Reports 11 (1), 1-8, 2021 | 16 | 2021 |
| Ligand Effects on the Linear Response Hubbard U: The Case of Transition Metal Phthalocyanines IE Brumboiu, S Haldar, J Luder, O Eriksson, HC Herper, B Brena, ... The Journal of Physical Chemistry A 123 (14), 3214-3222, 2019 | 15 | 2019 |
| eChem: A notebook exploration of quantum chemistry T Fransson, MG Delcey, IE Brumboiu, M Hodecker, X Li, Z Rinkevicius, ... Journal of Chemical Education 100 (4), 1664-1671, 2023 | 14 | 2023 |
| Atomic photoionization cross sections beyond the electric dipole approximation IE Brumboiu, O Eriksson, P Norman The Journal of Chemical Physics 150 (4), 2019 | 11 | 2019 |
| Spectroscopic Evidence of New Low-Dimensional Planar Carbon Allotropes Based on Biphenylene via On-Surface Ullmann Coupling T Zhang, C Grazioli, H Yang, K Jiang, IE Brumboiu, L Jia, L Liu, C Puglia, ... Chemistry 3 (3), 1057-1062, 2021 | 10 | 2021 |
| Analytical gradients for core-excited states in the algebraic diagrammatic construction (ADC) framework IE Brumboiu, DR Rehn, A Dreuw, YM Rhee, P Norman The Journal of Chemical Physics 155, 044106, 2021 | 9 | 2021 |
| Electronic structure modifications induced by increased molecular complexity: from triphenylamine to m-MTDATA T Zhang, IE Brumboiu, V Lanzilotto, C Grazioli, A Guarnaccio, ... Physical Chemistry Chemical Physics 21 (32), 17959-17970, 2019 | 9 | 2019 |
Cesare Grazioliresearcher at Italian National Research CouncilE-mail confirmado em iom.cnr.it
