scholarly journals Density Functional Study of Metal-to-Ligand Charge Transfer and Hole-Hopping in Ruthenium(II) Complexes with Alkyl-Substituted Bipyridine Ligands

ACS Omega ◽  
2020 ◽  
Author(s):  
Salmahaminati ◽  
Minori Abe ◽  
Indra Purnama ◽  
Jacob Yan Mulyana ◽  
Masahiko Hada
Keyword(s):  
Charge Transfer ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Ligand Charge Transfer

Metal-to-Ligand Charge Transfer (MLCT) Photochemistry offac-Mn(Cl)(CO)3(H-DAB):  A Density Functional Study

1996 ◽  
Vol 100 (38) ◽  
pp. 15346-15357 ◽  
Author(s):  
Angela Rosa ◽  
Giampaolo Ricciardi ◽  
Evert Jan Baerends ◽  
Derk J. Stufkens
Keyword(s):  
Charge Transfer ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Ligand Charge Transfer

Density Functional Study of Oxygen Sorption in Cyanocobaltate Complexes:  Reversibility and Charge Transfer

1996 ◽  
Vol 100 (44) ◽  
pp. 17613-17620 ◽  
Author(s):  
Hansong Cheng ◽  
Ronald M. Pearlstein ◽  
Dorai Ramprasad
Keyword(s):  
Charge Transfer ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Oxygen Sorption

Geometrical distortions and charge transfer in munchnöne regio-selectivity: A conceptual density functional study

2017 ◽  
Vol 117 (24) ◽  
pp. e25444 ◽  
Author(s):  
Marco Martínez González ◽  
David Hernández-Castillo ◽  
Luis A. Montero-Cabrera ◽  
Ramón Alain Miranda-Quintana
Keyword(s):  
Charge Transfer ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study
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