Experimental and theoretical electronic absorption spectra of 2,4‐diphenyl‐1,5‐benzothiazepine and its derivatives: Solvatochromic effect and time dependent density functional theory approach

2019 ◽  
Vol 66 (12) ◽  
pp. 1666-1681
Author(s):  
Hussein Moustafa ◽  
Mohamed E. Elshakre ◽  
Huwaida M. E. Hassaneen ◽  
Salwa Elramly
Keyword(s):  
Density Functional Theory ◽  
Absorption Spectra ◽  
Electronic Absorption ◽  
Density Functional ◽  
Electronic Absorption Spectra ◽  
Time Dependent ◽  
Theory Approach ◽  
Functional Theory ◽  
Solvatochromic Effect ◽  
Dependent Density

scholarly journals Prediction of high-valent iron K-edge absorption spectra by time-dependent Density Functional Theory

2011 ◽  
Vol 40 (42) ◽  
pp. 11070 ◽  
Author(s):  
P. Chandrasekaran ◽  
S. Chantal E. Stieber ◽  
Terrence J. Collins ◽  
Lawrence Que, Jr. ◽  
Frank Neese ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Absorption Spectra ◽  
Density Functional ◽  
Time Dependent ◽  
Functional Theory ◽  
Edge Absorption ◽  
High Valent ◽  
Dependent Density
Sign in / Sign up

Export Citation Format

Share Document