scholarly journals Optical absorption and magnetic circular dichroism spectra of thiouracils: a quantum mechanical study in solution

2017 ◽  
Vol 16 (9) ◽  
pp. 1415-1423 ◽  
Author(s):  
L. Martinez-Fernandez ◽  
T. Fahleson ◽  
P. Norman ◽  
F. Santoro ◽  
S. Coriani ◽  
...  
Keyword(s):  
Circular Dichroism ◽  
Magnetic Circular Dichroism ◽  
Electronic States ◽  
Photon Absorption ◽  
Quantum Mechanical ◽  
Mechanical Study ◽  
Td Dft ◽  
Quantum Mechanical Study ◽  
Circular Dichroïsm ◽  
Magnetic Circular Dichroism Spectra

The excited electronic states of thiouracils, the analogues of uracil where the carbonyl oxygens are substituted by sulphur atoms, have been investigated by computing the magnetic circular dichroism (MCD) and one-photon absorption (OPA) spectra at the TD-DFT level of theory.

TD-DFT Investigation of the Magnetic Circular Dichroism Spectra of Some Purine and Pyrimidine Bases of Nucleic Acids

2015 ◽  
Vol 119 (21) ◽  
pp. 5476-5489 ◽  
Author(s):  
Tobias Fahleson ◽  
Joanna Kauczor ◽  
Patrick Norman ◽  
Fabrizio Santoro ◽  
Roberto Improta ◽  
...  
Keyword(s):  
Circular Dichroism ◽  
Nucleic Acids ◽  
Magnetic Circular Dichroism ◽  
Circular Dichroism Spectra ◽  
Td Dft ◽  
Pyrimidine Bases ◽  
Circular Dichroïsm ◽  
Magnetic Circular Dichroism Spectra

scholarly journals Natural and magnetic circular dichroism spectra of nucleosides: effect of the dynamics and environment

RSC Advances ◽  
2021 ◽  
Vol 11 (14) ◽  
pp. 8411-8419
Author(s):  
Jakub Kaminský ◽  
Valery Andrushchenko ◽  
Petr Bouř
Keyword(s):  
Molecular Dynamics ◽  
Circular Dichroism ◽  
Nucleic Acids ◽  
Electronic Absorption ◽  
Magnetic Circular Dichroism ◽  
Circular Dichroism Spectra ◽  
Circular Dichroïsm ◽  
Magnetic Circular Dichroism Spectra

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.

Magnetic circular dichroism studies. 59. Substituent-induced sign variation in the magnetic circular dichroism spectra of chlorins

1981 ◽  
Vol 103 (11) ◽  
pp. 3201-3203 ◽  
Author(s):  
Joseph D. Keegan ◽  
Alan M. Stolzenberg ◽  
Yu-Cheng Lu ◽  
Robert E. Linder ◽  
Guenter Barth ◽  
...  
Keyword(s):  
Circular Dichroism ◽  
Magnetic Circular Dichroism ◽  
Circular Dichroism Spectra ◽  
Circular Dichroïsm ◽  
Magnetic Circular Dichroism Spectra
Sign in / Sign up

Export Citation Format

Share Document