Publications by authors named "Barbara Brena"

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Photooxidation of PCBM: new insights from spectroscopy.
Iulia Emilia Brumboiu, Leif K E Ericsson, Vanja Blazinic, Rickard Hansson, Andreas Opitz, Barbara Brena

Phys Chem Chem Phys· November 2022

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X-ray Induced Fragmentation of Protonated Cystine.
Geethanjali Gopakumar, Pamela H W Svensson, Oscar Grånäs, Barbara Brena, Lucas Schwob

J Phys Chem A· March 2022

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Evidence of hybridization states at the donor/acceptor interface: case of-MTDATA/PPT.
Teng Zhang, Tingting Wang, Cesare Grazioli, Ambra Guarnaccio, Iulia Emilia Brumboiu, Barbara Brena

J Phys Condens Matter· March 2022

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Clarifying the Adsorption of Triphenylamine on Au(111): Filling the HOMO-LUMO Gap.
Teng Zhang, Pamela H W Svensson, Iulia Emilia Brumboiu, Valeria Lanzilotto, Cesare Grazioli, Barbara Brena

J Phys Chem C Nanomater Interfaces· January 2022

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X-ray Photoelectron Fingerprints of High-Valence Ruthenium-Oxo Complexes along the Oxidation Reaction Pathway in an Aqueous Environment.
Jose Luis Silva, Isaak Unger, Tiago Araujo Matias, Leandro Rezende Franco, Giane Damas, Barbara Brena

J Phys Chem Lett· December 2019

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Site-specific X-ray induced dynamics in liquid methanol.
Clara-Magdalena Saak, Isaak Unger, Barbara Brena, Carl Caleman, Olle Björneholm

Phys Chem Chem Phys· July 2019

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Unveiling the Interfacial Effects for Enhanced Hydrogen Evolution Reaction on MoS /WTe Hybrid Structures.
Yu Zhou, Joshua V Pondick, Jose Luis Silva, John M Woods, David J Hynek, Barbara Brena

Small· May 2019

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Ligand Effects on the Linear Response Hubbard U: The Case of Transition Metal Phthalocyanines.
Iulia Emilia Brumboiu, Soumyajyoti Haldar, Johann Lüder, Olle Eriksson, Heike C Herper, Barbara Brena

J Phys Chem A· April 2019

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Spectroscopic Fingerprints of Intermolecular H-Bonding Interactions in Carbon Nitride Model Compounds.
Valeria Lanzilotto, J Luis Silva, Teng Zhang, Matuš Stredansky, Cesare Grazioli, Barbara Brena

Chemistry· September 2018

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Revealing the Contribution of Individual Factors to Hydrogen Evolution Reaction Catalytic Activity.
Yu Zhou, Jose Luis Silva, John M Woods, Joshua V Pondick, Qingliang Feng, Barbara Brena

Adv Mater· May 2018

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Valence electronic structure of cobalt phthalocyanine from an optimally tuned range-separated hybrid functional.
Iulia Emilia Brumboiu, Georgia Prokopiou, Leeor Kronik, Barbara Brena

J Chem Phys· July 2017

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Influence of Electron Correlation on the Electronic Structure and Magnetism of Transition-Metal Phthalocyanines.
Iulia Emilia Brumboiu, Soumyajyoti Haldar, Johann Lüder, Olle Eriksson, Heike C Herper, Barbara Brena

J Chem Theory Comput· April 2016

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Many-body effects and excitonic features in 2D biphenylene carbon.
Johann Lüder, Carla Puglia, Henrik Ottosson, Olle Eriksson, Biplab Sanyal, Barbara Brena

J Chem Phys· January 2016

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The influence of oxygen adsorption on the NEXAFS and core-level XPS spectra of the C60 derivative PCBM.
Iulia Emilia Brumboiu, Leif Ericsson, Rickard Hansson, Ellen Moons, Olle Eriksson, Barbara Brena

J Chem Phys· February 2015

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The electronic characterization of biphenylene--experimental and theoretical insights from core and valence level spectroscopy.
Johann Lüder, Monica de Simone, Roberta Totani, Marcello Coreno, Cesare Grazioli, Barbara Brena

J Chem Phys· February 2015

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Revisiting the adsorption of copper-phthalocyanine on Au(111) including van der Waals corrections.
Johann Lüder, Olle Eriksson, Biplab Sanyal, Barbara Brena

J Chem Phys· March 2014

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Elucidating the 3d electronic configuration in manganese phthalocyanine.
Iulia Emilia Brumboiu, Roberta Totani, Monica de Simone, Marcello Coreno, Cesare Grazioli, Barbara Brena

J Phys Chem A· February 2014

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Modeling near-edge fine structure X-ray spectra of the manganese catalytic site for water oxidation in photosystem II.
Barbara Brena, Per E M Siegbahn, Hans Ågren

J Am Chem Soc· October 2012

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Valence-band electronic structure of iron phthalocyanine: an experimental and theoretical photoelectron spectroscopy study.
Barbara Brena, Carla Puglia, Monica de Simone, Marcello Coreno, Kartick Tarafder

J Chem Phys· February 2011

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Electronic structure of water molecules confined in a micelle lattice.
Johan Gråsjö, Egil Andersson, Johan Forsberg, Emad F Aziz, Barbara Brena

J Phys Chem B· June 2009

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Scanning tunneling microscopy study of metal-free phthalocyanine monolayer structures on graphite.
Katharina Nilson, John Ahlund, Barbara Brena, Emmanuelle Göthelid, Joachim Schiessling

J Chem Phys· September 2007

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The electronic structure of iron phthalocyanine probed by photoelectron and x-ray absorption spectroscopies and density functional theory calculations.
John Ahlund, Katharina Nilson, Joachim Schiessling, Lisbeth Kjeldgaard, Simon Berner, Barbara Brena

J Chem Phys· July 2006

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N-K near-edge x-ray-absorption fine structures of acetonitrile in gas phase.
Stéphane Carniato, Richard Taïeb, Edwin Kukk, Yi Luo, Barbara Brena

J Chem Phys· December 2005

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Characterization of the electronic structure of C50Cl10 by means of soft x-ray spectroscopies.
Barbara Brena, Yi Luo

J Chem Phys· December 2005

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Functional and basis set dependence of K-edge shake-up spectra of molecules.
Barbara Brena, Stéphane Carniato, Yi Luo

J Chem Phys· May 2005

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