E-LIB Suche - Ergebnisse für: Mark E. Casida

1

Test of the orbital-based LI3 index as a predictor of the h..:

Magero, Denis ; Darghouth, Ala Aldin M.H.M. ; Casida, Mark E.
Journal of Photochemistry and Photobiology A: Chemistry. 451 (2024) - p. 115502 , 2024

Link: https://doi.org/10.1016/..

2

Diagrammatic multiplet sum method (MSM) density functional ..:

Ponra, Abraham ; Bakasa, Carolyne ; Etindele, Anne Justine.
The Journal of Chemical Physics. 159 (2023) 24 - p. , 2023

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

3

Density‐functional theory (DFT) and time‐dependent DFT stud..:

Taouali, Walid ; Alimi, Kamel ; Sindhoo Nangraj, Asma.
Journal of Computational Chemistry. 44 (2023) 27 - p. 2130-2148 , 2023

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

4

Contributors:

, In: Green Chemistry and Computational Chemistry,

Alimi, Kamel ; Amovilli, Claudio ; Antonio, Felipe C.T.... - p. xiii-xvii , 2022

Link: https://doi.org/10.1016/..

5

Computational studies of ruthenium and iridium complexes fo..:

, In: Green Chemistry and Computational Chemistry,

Magero, Denis ; Mestiri, Tarek ; Alimi, Kamel. - p. 115-145 , 2022

Link: https://doi.org/10.1016/..

6

Modelling the physical properties of environmentally friend..:

, In: Green Chemistry and Computational Chemistry,

Lawson Daku, Latévi M. ; Casida, Mark E. - p. 355-384 , 2022

Link: https://doi.org/10.1016/..

7

Practical treatment of singlet oxygen with density-function..:

Ponra, Abraham ; Etindele, Anne Justine ; Motapon, Ousmanou.
Theoretical Chemistry Accounts. 140 (2021) 11 - p. , 2021

Link: https://doi.org/10.1007/..

8

Effect of varying the TD-lc-DFTB range-separation parameter..:

Darghouth, Ala Aldin M. H. M. ; Casida, Mark E. ; Zhu, Xi...
The Journal of Chemical Physics. 154 (2021) 5 - p. , 2021

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

9

Rational design of (D-A) copolymers towards high efficiency..:

Taouali, Walid ; Casida, Mark E. ; Znaidia, Sami.
Journal of Molecular Graphics and Modelling. 89 (2019) - p. 139-146 , 2019

Link: https://doi.org/10.1016/..

10

Theoretical design of new small molecules with a low band-g..:

Taouali, W. ; Casida, Mark E. ; Darghouth, Ala Aldin M.H.M..
Computational Materials Science. 150 (2018) - p. 54-61 , 2018

Link: https://doi.org/10.1016/..

11

Davydov-type excitonic effects on the absorption spectra of..:

Darghouth, Ala Aldin M. H. M. ; Correa, Gabriela Calinao ; Juillard, Sacha...
The Journal of Chemical Physics. 149 (2018) 13 - p. , 2018

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

12

On the calculation of Δ〈Sˆ2〉 for electronic excitations in ..:

Myneni, Hemanadhan ; Casida, Mark E.
Computer Physics Communications. 213 (2017) - p. 72-91 , 2017

Link: https://doi.org/10.1016/..

13

Partial density of states ligand field theory (PDOS-LFT): R..:

Magero, Denis ; Casida, Mark E. ; Amolo, George..
Journal of Photochemistry and Photobiology A: Chemistry. 348 (2017) - p. 305-325 , 2017

Link: https://doi.org/10.1016/..

14

Regarding the use and misuse of retinal protonated Schiff b..:

Valsson, Omar ; Filippi, Claudia ; Casida, Mark E.
The Journal of Chemical Physics. 142 (2015) 14 - p. , 2015

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

15

Corrigendum to "Wavelet-based linear-response time-dependen..:

Natarajan, Bhaarathi ; Genovese, Luigi ; Deutsch, Thierry.
Chemical Physics. 436-437 (2014) - p. 63-64 , 2014

Link: https://doi.org/10.1016/..