Iulia Emilia Brumboiu
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
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
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
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
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
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
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
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
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
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
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
Core–hole delocalization for modeling x-ray spectroscopies: A cautionary tale
IE Brumboiu, T Fransson
The Journal of Chemical Physics 156 (21), 2022
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
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
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
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
Atomic photoionization cross sections beyond the electric dipole approximation
IE Brumboiu, O Eriksson, P Norman
The Journal of Chemical Physics 150 (4), 2019
Surface-enhanced Raman effect in ultra-thin CuPc films employing periodic silver nanostructures
M Ludemann, IE Brumboiu, OD Gordan, DRT Zahn
Journal of Nanoparticle Research 13 (11), 5855-5861, 2011
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
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
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Straipsniai 1–20