Dimitrios Maganas

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 16

Top Venues

The Journal of chemical physics

The journal of physical chemistry. A

Inorganic chemistry

Journal of chemical theory and computation

Max-Planck-Institut für Kohlenforschung

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Max-Planck-Institut für Kohlenforschung Jan 01 2018

Germany

Group Leader

Max Planck Institute for Chemical Energy Conversion - Dec 31 2017

Germany

Group Leader :: Molecular Theory and Spectroscopy

Publications

Tiago Leyser da Costa Gouveia, Dimitrios Maganas, Frank Neese
Restricted Open-Shell Hartree-Fock Method for a General Configuration State Function Featuring Arbitrarily Complex Spin-Couplings. The journal of physical chemistry. A (2024)
Tiago Leyser da Costa Gouveia, Dimitrios Maganas, Frank Neese
Restricted Open-Shell Hartree-Fock Method for a General Configuration State Function Featuring Arbitrarily Complex Spin-Couplings. The journal of physical chemistry. A 128 (25) (2024)
Tiago Leyser da Costa Gouveia, Dimitrios Maganas, Frank Neese
Restricted Open-Shell Hartree-Fock Method for a General Configuration State Function Featuring Arbitrarily Complex Spin-Couplings. The journal of physical chemistry. A 128 (25) (2024)
Tiago Leyser da Costa Gouveia, Dimitrios Maganas, Frank Neese
Restricted Open-Shell Hartree-Fock Method for a General Configuration State Function Featuring Arbitrarily Complex Spin-Couplings. The journal of physical chemistry. A 128 (25) (2024)
Nicolás Foglia, Bernardo de Souza, Dimitrios Maganas, Frank Neese
Including vibrational effects in magnetic circular dichroism spectrum calculations in the framework of excited state dynamics. The Journal of chemical physics 158 (15) (2023)
Nicolás Foglia, Bernardo de Souza, Dimitrios Maganas, Frank Neese
Including vibrational effects in magnetic circular dichroism spectrum calculations in the framework of excited state dynamics. The Journal of chemical physics 158 (15) (2023)
Nicolás Foglia, Bernardo de Souza, Dimitrios Maganas, Frank Neese
Including vibrational effects in magnetic circular dichroism spectrum calculations in the framework of excited state dynamics. The Journal of chemical physics 158 (15) (2023)
Dimitrios Maganas, Joanna K Kowalska, Casey Van Stappen, Serena DeBeer, Frank Neese
Mechanism of L2,3-edge x-ray magnetic circular dichroism intensity from quantum chemical calculations and experiment-A case study on V(IV)/V(III) complexes. The Journal of chemical physics 152 (11) (2020)
Anneke Dittmer, Robert Izsak, Frank Neese, Dimitrios Maganas
Accurate Band Gap Predictions of Semiconductors in the Framework of the Similarity Transformed Equation of Motion Coupled Cluster Theory. Inorganic chemistry 58 (14) (2019)
Dimitrios Maganas, Joanna K Kowalska, Marcel Nooijen, Serena DeBeer, Frank Neese
Comparison of multireference ab initio wavefunction methodologies for X-ray absorption edges: A case study on [Fe(II/III)Cl4]2-/1- molecules. The Journal of chemical physics 150 (10) (2019)
Casey Van Stappen, Dimitrios Maganas, Serena DeBeer, Eckhard Bill, Frank Neese
Investigations of the Magnetic and Spectroscopic Properties of V(III) and V(IV) Complexes. Inorganic chemistry 57 (11) (2018)
Dimitrios Maganas, Serena DeBeer, Frank Neese
Pair Natural Orbital Restricted Open-Shell Configuration Interaction (PNO-ROCIS) Approach for Calculating X-ray Absorption Spectra of Large Chemical Systems. The journal of physical chemistry. A 122 (5) (2018)
Agisilaos Chantzis, Joanna K Kowalska, Dimitrios Maganas, Serena DeBeer, Frank Neese
Ab Initio Wave Function-Based Determination of Element Specific Shifts for the Efficient Calculation of X-ray Absorption Spectra of Main Group Elements and First Row Transition Metals. Journal of chemical theory and computation 14 (7) (2018)
Adam Kubas, Max Verkamp, Josh Vura-Weis, Frank Neese, Dimitrios Maganas
Restricted Open-Shell Configuration Interaction Singles Study on M- and L-edge X-ray Absorption Spectroscopy of Solid Chemical Systems. Journal of chemical theory and computation 14 (8) (2018)
Dimitrios Maganas, Serena DeBeer, Frank Neese
A Restricted Open Configuration Interaction with Singles Method To Calculate Valence-to-Core Resonant X-ray Emission Spectra: A Case Study. Inorganic chemistry 56 (19) (2017)
Adam Kubas, Johannes Noak, Annette Trunschke, Robert Schlögl, Frank Neese, Dimitrios Maganas
A combined experimental and theoretical spectroscopic protocol for determination of the structure of heterogeneous catalysts: developing the information content of the resonance Raman spectra of M1 MoVO x. Chemical science 8 (9) (2017)

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Publication Activity (10 Years)

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Dimitrios Maganas