Spin–orbit coupling in the excited states of ferricytochrome c and deoxyhemoglobin studied by magnetic circular dichroism

1976 ◽  
Vol 64 (4) ◽  
pp. 1276-1280 ◽  
Author(s):  
M. A. Livshitz ◽  
A. M. Arutyunyan ◽  
Yu. A. Sharonov
Keyword(s):  
Circular Dichroism ◽  
Excited States ◽  
Magnetic Circular Dichroism ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Ferricytochrome C ◽  
Circular Dichroïsm

scholarly journals Excited-states of a rhenium carbonyl diimine complex: solvation models, spin–orbit coupling, and vibrational sampling effects

2017 ◽  
Vol 19 (40) ◽  
pp. 27240-27250 ◽  
Author(s):  
Sebastian Mai ◽  
Hugo Gattuso ◽  
Maria Fumanal ◽  
Aurora Muñoz-Losa ◽  
Antonio Monari ◽  
...  
Keyword(s):  
Absorption Spectra ◽  
Excited States ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Implicit Solvation ◽  
Td Dft ◽  
Rhenium Carbonyl ◽  
Solvation Models ◽  
P Absorption

Absorption spectra of [Re(CO)3(imidazole)(phenanthroline)]+ were computed using TD-DFT with QM/MM, frozen-density embedding, and implicit solvation models.

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