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Iulia Brumboiu

4 results in Authors: Iulia Brumboiu

Physical Chemistry

XABOOM: An X-Ray Absorption Benchmark of Organic Molecules Based on Carbon, Nitrogen, and Oxygen 1s → π ∗ Transitions

Thomas Fransson, Iulia Emilia Brumboiu, Marta L. Vidal, Patrick Norman, Sonia Coriani, Andreas Dreuw

Version 2 posted 18 January 2021

845

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Physical Chemistry

Analytical Gradients for Core-Excited States in the Algebraic Diagrammatic Construction (ADC) Framework

Iulia Emilia Brumboiu, Dirk R. Rehn, Andreas Dreuw, Young Min Rhee, Patrick Norman

Version 1 posted 31 May 2021

247

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Chemical Education

eChem: A notebook exploration of quantum chemistry

Thomas Fransson, Mickael Delcey, Iulia Brumboiu, Manuel Hodecker, Xin Li, Zilvinas Rinkevicius, Andreas Dreuw, Young Min Rhee, Patrick Norman

Version 3 posted 13 February 2023

1,654

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Theoretical and Computational Chemistry

Core-hole delocalization for modeling X-ray spectroscopies: A cautionary tale

Iulia Brumboiu, Thomas Fransson

Version 2 posted 13 May 2022

338

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