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The Journal of Physical Chemistry. A
|
December 16, 2024
General Spin-Restricted Open-Shell Configuration Interaction Approach: Application to Metal K-Edge X-ray Absorption Spectra of Ferro- and Antiferromagnetically Coupled Dimers
Tiago Leyser da Costa Gouveia, Dimitrios Maganas, Frank Neese
The Journal of Chemical Physics
|
April 24, 2023
Including vibrational effects in magnetic circular dichroism spectrum calculations in the framework of excited state dynamics
Nicolás Foglia, Bernardo De Souza, Dimitrios Maganas, et al.
Journal of the American Chemical Society
|
January 11, 2019
Chemistry and Quantum Mechanics in 2019: Give Us Insight and Numbers
Frank Neese, Mihail Atanasov, Giovanni Bistoni, et al.
Inorganic Chemistry
|
December 19, 2024
Extended Active Space Ab Initio Ligand Field Theory: Applications to Transition-Metal Ions
Shashank V Rao, Dimitrios Maganas, Kantharuban Sivalingam, et al.
The Journal of Physical Chemistry. A
|
September 30, 2025
General Spin Restricted Open-Shell Configuration Interaction Singles (GS-ROCIS): Implementation of Spin-Orbit Coupling and Zeeman Operators for Calculation of Optical and X-ray Absorption and Magnetic Circular Dichroism Spectra of Magnetically Coupled Transition Metal Systems
Tiago Leyser da Costa Gouveia, Lucas Lang, Dimitrios Maganas, et al.
Inorganic Chemistry
|
October 8, 2015
Magneto-Structural Correlations in a Series of Pseudotetrahedral [Co(II)(XR)4](2-) Single Molecule Magnets: An ab Initio Ligand Field Study
Elizaveta A Suturina, Dimitrios Maganas, Eckhard Bill, et al.
Journal of Chemical Theory and Computation
|
June 28, 2018
Restricted Open-Shell Configuration Interaction Singles Study on M- and L-edge X-ray Absorption Spectroscopy of Solid Chemical Systems
Adam Kubas, Max Verkamp, Josh Vura-Weis, et al.
Journal of Chemical Theory and Computation
|
June 13, 2018
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
Agisilaos Chantzis, Joanna K Kowalska, Dimitrios Maganas, et al.
Inorganic Chemistry
|
May 24, 2018
Investigations of the Magnetic and Spectroscopic Properties of V(III) and V(IV) Complexes
Casey Van Stappen, Dimitrios Maganas, Serena DeBeer, et al.
Inorganic Chemistry
|
October 13, 2016
Measuring Spin-Allowed and Spin-Forbidden d-d Excitations in Vanadium Complexes with 2p3d Resonant Inelastic X-ray Scattering
Benjamin E Van Kuiken, Anselm W Hahn, Dimitrios Maganas, et al.
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of 5
Search research articles
Search
Showing results (11-20 of 47) with videos related to
Sort By:
Page
of 5
The Journal of Physical Chemistry. A
|
December 16, 2024
General Spin-Restricted Open-Shell Configuration Interaction Approach: Application to Metal K-Edge X-ray Absorption Spectra of Ferro- and Antiferromagnetically Coupled Dimers
Tiago Leyser da Costa Gouveia, Dimitrios Maganas, Frank Neese
The Journal of Chemical Physics
|
April 24, 2023
Including vibrational effects in magnetic circular dichroism spectrum calculations in the framework of excited state dynamics
Nicolás Foglia, Bernardo De Souza, Dimitrios Maganas, et al.
Journal of the American Chemical Society
|
January 11, 2019
Chemistry and Quantum Mechanics in 2019: Give Us Insight and Numbers
Frank Neese, Mihail Atanasov, Giovanni Bistoni, et al.
Inorganic Chemistry
|
December 19, 2024
Extended Active Space Ab Initio Ligand Field Theory: Applications to Transition-Metal Ions
Shashank V Rao, Dimitrios Maganas, Kantharuban Sivalingam, et al.
The Journal of Physical Chemistry. A
|
September 30, 2025
General Spin Restricted Open-Shell Configuration Interaction Singles (GS-ROCIS): Implementation of Spin-Orbit Coupling and Zeeman Operators for Calculation of Optical and X-ray Absorption and Magnetic Circular Dichroism Spectra of Magnetically Coupled Transition Metal Systems
Tiago Leyser da Costa Gouveia, Lucas Lang, Dimitrios Maganas, et al.
Inorganic Chemistry
|
October 8, 2015
Magneto-Structural Correlations in a Series of Pseudotetrahedral [Co(II)(XR)4](2-) Single Molecule Magnets: An ab Initio Ligand Field Study
Elizaveta A Suturina, Dimitrios Maganas, Eckhard Bill, et al.
Journal of Chemical Theory and Computation
|
June 28, 2018
Restricted Open-Shell Configuration Interaction Singles Study on M- and L-edge X-ray Absorption Spectroscopy of Solid Chemical Systems
Adam Kubas, Max Verkamp, Josh Vura-Weis, et al.
Journal of Chemical Theory and Computation
|
June 13, 2018
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
Agisilaos Chantzis, Joanna K Kowalska, Dimitrios Maganas, et al.
Inorganic Chemistry
|
May 24, 2018
Investigations of the Magnetic and Spectroscopic Properties of V(III) and V(IV) Complexes
Casey Van Stappen, Dimitrios Maganas, Serena DeBeer, et al.
Inorganic Chemistry
|
October 13, 2016
Measuring Spin-Allowed and Spin-Forbidden d-d Excitations in Vanadium Complexes with 2p3d Resonant Inelastic X-ray Scattering
Benjamin E Van Kuiken, Anselm W Hahn, Dimitrios Maganas, et al.
Page
of 5