Computational Studies on Structural, Excitation, and Charge-Transfer Properties of Ureidopeptidomimetics

2016 ◽  
Vol 120 (27) ◽  
pp. 6469-6478 ◽  
Author(s):  
Sherin Joy ◽  
Vommina V Sureshbabu ◽  
Ganga Periyasamy
Keyword(s):  
Charge Transfer ◽  
Computational Studies ◽  
Structural Excitation ◽  
Transfer Properties

Computational studies on ground and excited state charge transfer properties of peptidomimetics

2018 ◽  
Vol 207 ◽  
pp. 77-90
Author(s):  
Sherin Joy ◽  
Vommina V Sureshbabu ◽  
Ganga Periyasamy
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Terminal Group ◽  
Computational Studies ◽  
Migration Dynamics ◽  
Hole Migration ◽  
Transfer Properties ◽  
State Charge

Charge transfers during excitation and hole migration dynamics after immediate ionization for various terminal group containing ureido-peptides are studied.

Influence of an exciton-delocalizing ligand on the structural, electronic, and spectral features of the Cd33S33 quantum dot: insights from computational studies

2018 ◽  
Vol 6 (32) ◽  
pp. 8751-8761 ◽  
Author(s):  
Wei Li ◽  
Teng-Fei Lu ◽  
Wenhui Ren ◽  
Lei Deng ◽  
Xingming Zhang ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Quantum Dot ◽  
Computational Studies ◽  
Spectral Features ◽  
Transfer Properties

The influence of an exciton delocalization ligand on the structural, electronic, optical, and charge transfer properties of Cd33S33 quantum dot were elucidated.

Tuning metal to metal charge transfer properties in cyanidometal-bridged complexes by changing the auxiliary ligand on the bridge

2021 ◽  
Author(s):  
Qing-Dou Xu ◽  
Chen Zeng ◽  
Shao-Dong Su ◽  
Yu-Ying Yang ◽  
Sheng-Min Hu ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Auxiliary Ligand ◽  
Metal Charge ◽  
Transfer Properties ◽  
Metal Charge Transfer

This work shows that the energy of MMCT in cyanidometal-bridged complexes can be tuned systematically by changing the auxiliary ligand of the cyanidometal bridge.

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