Theoretical elucidation of Faraday B terms in the magnetic circular dichroism of monosubstituted benzenes. Use of the CNDO/S-CI approximation

1978 ◽  
Vol 100 (7) ◽  
pp. 2034-2040 ◽  
Author(s):  
Akira Kaito ◽  
Masahiro Hatano
2020 ◽  
Vol 116 (20) ◽  
pp. 201905
Author(s):  
Biqiong Yu ◽  
Guichuan Yu ◽  
Jeff Walter ◽  
Vipul Chaturvedi ◽  
Joseph Gotchnik ◽  
...  

RSC Advances ◽  
2021 ◽  
Vol 11 (14) ◽  
pp. 8411-8419
Author(s):  
Jakub Kaminský ◽  
Valery Andrushchenko ◽  
Petr Bouř

Electronic absorption, natural and magnetic circular dichroism spectra of several nucleosides are simulated to understand their dependence on molecular dynamics and environment, their sensitivity to nucleoside pairing and stacking in nucleic acids.


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