scholarly journals Theoretical Studies on the Molecular Properties, Toxicity, and Biological Efficacy of 21 New Chemical Entities

ACS Omega ◽  
2021 ◽  
Author(s):  
Ruby Srivastava
Keyword(s):  
Molecular Properties ◽  
Theoretical Studies ◽  
Biological Efficacy ◽  
New Chemical Entities

scholarly journals Experimental and theoretical studies on the molecular properties of ciprofloxacin, norfloxacin, pefloxacin, sparfloxacin, and gatifloxacin in determining bioavailability

2014 ◽  
Vol 40 (4) ◽  
pp. 335-345 ◽  
Author(s):  
E. Kłosińska-Szmurło ◽  
F. A. Pluciński ◽  
M. Grudzień ◽  
K. Betlejewska-Kielak ◽  
J. Biernacka ◽  
...  
Keyword(s):  
Molecular Properties ◽  
Theoretical Studies ◽  
Experimental And Theoretical Studies

scholarly journals Theoretical Studies of Milk: Solvent Effects on the Molecular Properties of Retinoid Compounds

2020 ◽  
Vol 2 (1) ◽  
pp. 19-26
Author(s):  
GEORGIA MARIA AMARAL JUNQUEIRA ◽  
Leandro Da Conceição Luiz ◽  
Renata Carvalho Teixeira ◽  
Leandro Da Conceição Luiz ◽  
Maria Jose V. Bell ◽  
...  
Keyword(s):  
Vitamin A ◽  
Excited States ◽  
Solvent Effects ◽  
Spectroscopic Properties ◽  
Molecular Properties ◽  
Theoretical Studies ◽  
Homo Lumo

We discuss here the role of environment in the structural and spectroscopic properties of vitamin A in its retinoid forms: retinol and retinal. The analyzed compounds show three singlet excited states exhibiting wavelengths between 472 and 273 nm according to the medium. The transitions involve HOMO, LUMO, HOMO-1, LUMO and HOMO, LUMO+1 orbitals.

Sign in / Sign up

Export Citation Format

Share Document