E-LIB Suche - Ergebnisse für: Maganas, Dimitrios

1

A theoretical spectroscopy study of the photoluminescence p..:

Shafei, Rami ; Strobel, Philipp Jean ; Schmidt, Peter J....
Physical Chemistry Chemical Physics. 26 (2024) 7 - p. 6277-6291 , 2024

Link: https://doi.org/10.1039/..

2

Restricted Open-Shell Hartree–Fock Method for a General Con..:

Leyser da Costa Gouveia, Tiago ; Maganas, Dimitrios ; Neese, Frank
The Journal of Physical Chemistry A. 128 (2024) 25 - p. 5041-5053 , 2024

Link: https://doi.org/10.1021/..

3

Correlating Valence and 2p3d RIXS Spectroscopies: A Ligand-..:

Van Stappen, Casey ; Van Kuiken, Benjamin E. ; Mörtel, Max...
Inorganic Chemistry. 63 (2024) 16 - p. 7386-7400 , 2024

Link: https://doi.org/10.1021/..

4

Theoretical spectroscopy for unraveling the intensity mecha..:

Shafei, Rami ; Hamano, Ai ; Gourlaouen, Christophe...
The Journal of Chemical Physics. 159 (2023) 8 - p. , 2023

Link: https://doi.org/10.1063/..

5

Including vibrational effects in magnetic circular dichrois..:

Foglia, Nicolás ; De Souza, Bernardo ; Maganas, Dimitrios.
The Journal of Chemical Physics. 158 (2023) 15 - p. , 2023

Link: https://doi.org/10.1063/..

6

Electronic and Optical Properties of Eu2+-Activated Narrow-..:

Shafei, Rami ; Maganas, Dimitrios ; Strobel, Philipp Jean...
Journal of the American Chemical Society. 144 (2022) 18 - p. 8038-8053 , 2022

Link: https://doi.org/10.1021/..

7

Going beyond the electric-dipole approximation in the calcu..:

Foglia, Nicolás O. ; Maganas, Dimitrios ; Neese, Frank
The Journal of Chemical Physics. 157 (2022) 8 - p. , 2022

Link: https://doi.org/10.1063/..

8

Kβ X‐Ray Emission Spectroscopic Study of a Second‐Row Trans..:

Castillo, Rebeca G. ; Henthorn, Justin T. ; McGale, Jeremy..
Angewandte Chemie International Edition. 59 (2020) 31 - p. 12965-12975 , 2020

Link: https://doi.org/10.1002/..

9

Kβ X‐Ray Emission Spectroscopic Study of a Second‐Row Trans..:

Castillo, Rebeca G. ; Henthorn, Justin T. ; McGale, Jeremy..
Angewandte Chemie. 132 (2020) 31 - p. 13065-13075 , 2020

Link: https://doi.org/10.1002/..

10

Magnetic Properties and Electronic Structure of the S = 2 C..:

Sanakis, Yiannis ; Krzystek, J. ; Maganas, Dimitrios...
Inorganic Chemistry. 59 (2020) 18 - p. 13281-13294 , 2020

Link: https://doi.org/10.1021/..

11

Mechanism of L2,3-edge x-ray magnetic circular dichroism in..:

Maganas, Dimitrios ; Kowalska, Joanna K. ; Van Stappen, Casey..
The Journal of Chemical Physics. 152 (2020) 11 - p. , 2020

Link: https://doi.org/10.1063/..

12

Computation of NMR Shielding Constants for Solids Using an ..:

Dittmer, Anneke ; Stoychev, Georgi L. ; Maganas, Dimitrios..
Journal of Chemical Theory and Computation. 16 (2020) 11 - p. 6950-6967 , 2020

Link: https://doi.org/10.1021/..

13

Chemistry and Quantum Mechanics in 2019: Give Us Insight an..:

Neese, Frank ; Atanasov, Mihail ; Bistoni, Giovanni..
Journal of the American Chemical Society. 141 (2019) 7 - p. 2814-2824 , 2019

Link: https://doi.org/10.1021/..

14

Comparison of multireferenceab initio wavefunction methodol..:

Maganas, Dimitrios ; Kowalska, Joanna K. ; Nooijen, Marcel..
The Journal of Chemical Physics. 150 (2019) 10 - p. , 2019

Link: https://doi.org/10.1063/..

15

Accurate Band Gap Predictions of Semiconductors in the Fram..:

Dittmer, Anneke ; Izsák, Róbert ; Neese, Frank.
Inorganic Chemistry. 58 (2019) 14 - p. 9303-9315 , 2019

Link: https://doi.org/10.1021/..