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Iulia Emilia Brumboiu
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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 88 (2), 024401, 2013
552013
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
542016
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
482014
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), 044301, 2017
432017
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), 054306, 2015
242015
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
212013
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
202021
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
152018
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
152017
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
152015
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
102011
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
82021
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
72021
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
52019
Atomic photoionization cross sections beyond the electric dipole approximation
IE Brumboiu, O Eriksson, P Norman
The Journal of Chemical Physics 150 (4), 044306, 2019
52019
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
52019
Photoelectron Spectroscopy of Molecules Beyond the Electric Dipole Approximation
IE Brumboiu, O Eriksson, P Norman
Journal of chemical theory and computation 15 (10), 5483-5494, 2019
32019
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
22022
m-MTDATA on Au(111): Spectroscopic Evidence of Molecule–Substrate Interactions
T Zhang, C Grazioli, A Guarnaccio, IE Brumboiu, V Lanzilotto, ...
The Journal of Physical Chemistry C 126 (6), 3202-3210, 2022
12022
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
12021
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