TD-DFT Assessment of the Excited State Intramolecular Proton Transfer in Hydroxyphenylbenzimidazole (HBI) Dyes von Houari, Ymène, Chibani, Siwar, Jacquemin, Denis, Laurent, Adèle D

Volltext

Modeling optical signatures and excited-state reactivities of substituted hydroxyphenylbenzoxazole (HBO) ESIPT dyes von Houari, Ymène, Charaf-Eddin, Azzam, Laurent, Adèle D, Massue, Julien, Ziessel, Raymond, Ulrich, Gilles, Jacquemin, Denis

Volltext

Spectral Signatures of Perylene Diimide Derivatives: Insights From Theory von Houari, Ymène, Laurent, Adèle D, Jacquemin, Denis

Volltext

Methodological keys for accurate simulations von Houari, Ymène, Jacquemin, Denis, Laurent, Adèle D.

Volltext

Methodological keys for accurate pKa simulations von HOUARI, Ymène, JACQUEMIN, Denis, LAURENT, Adèle D

Volltext

TD-DFT study of the pKa∗ for coumarins von Houari, Ymène, Jacquemin, Denis, Laurent, Adèle D.

Volltext

ESIPT or not ESIPT? Revisiting recent results on 2,1,3-benzothiadiazole under the TD-DFT light von Laurent, Adèle D., Houari, Ymène, Carvalho, Pedro H. P. R., Neto, Brenno A. D., Jacquemin, Denis

Volltext

TD-DFT study of the for coumarins von Houari, Ymène, Jacquemin, Denis, Laurent, Adèle D.

Volltext

Modeling optical signatures and excited-state reactivities of substituted hydroxyphenylbenzoxazole (HBO) ESIPT dyesElectronic supplementary information (ESI) available: (i) Computa... von Houari, Ymène, Charaf-Eddin, Azzam, Laurent, Adèle D, Massue, Julien, Ziessel, Raymond, Ulrich, Gilles, Jacquemin, Denis

Volltext

ESIPT or not ESIPT? Revisiting recent results on 2,1,3-benzothiadiazole under the TD-DFT lightElectronic supplementary information (ESI) available: computational details. See DOI:... von Laurent, Adèle D, Houari, Ymène, Carvalho, Pedro H. P. R, Neto, Brenno A. D, Jacquemin, Denis

Volltext

TD-DFT study of the pK(a) for coumarins von Houari, Ymene, Jacquemin, Denis, Laurent, Adele D.

Volltext

Methodological keys for accurate pK(a) simulations von Houari, Ymene, Jacquemin, Denis, Laurent, Adele D.

Volltext

Vibrationally resolved N 1 s absorption spectra of the acrylonitrile molecule von Ilakovac, Vita, Houari, Ymène, Carniato, Stéphane, Gallet, Jean-Jacques, Kukk, Edwin, Horvatić, Davor

Volltext