A theoretical study of the absorption spectra of electron-deficient pentacene derivatives using DFT and TDDFT

2020 ◽  
Vol 225 ◽  
pp. 117480
Author(s):  
Jie Zhang ◽  
Suoping Peng ◽  
Yucong Wei ◽  
Shaohui Zheng
Keyword(s):  
Absorption Spectra ◽  
Theoretical Study ◽  
Pentacene Derivatives

Near-IR Absorption Spectra for the Buckminsterfullerene Anions: An Experimental and Theoretical Study

1992 ◽  
Author(s):  
Del R. Lawson ◽  
Daniel L. Feldheim ◽  
Colby A. Foss ◽  
Peter K. Dorhoug ◽  
C. M. Elliott
Keyword(s):  
Absorption Spectra ◽  
Theoretical Study ◽  
Ir Absorption ◽  
Near Ir ◽  
Ir Absorption Spectra

Furan and Thiophene Analogs of Phenanthrene A Theoretical Study of the Absorption Spectra of Benzodifurans, Benzodithiophenes and Thienobenzofurans

1971 ◽  
Vol 26 (12) ◽  
pp. 1235-1240 ◽  
Author(s):  
L. Klasinc ◽  
J. V. Knop
Keyword(s):  
Absorption Spectra ◽  
Theoretical Study ◽  
Oscillator Strengths ◽  
Electron Transitions ◽  
Good Agreement ◽  
Lcao Mo

The LCAO -MO -SCF -CI method was applied to benzo(1,2-b : 4,3-b′) -difuran and -dithiophene, benzo (2,1-b : 3,4-b′) -difuran and -dithiophene, benzo (1,2-b : 3,4-b′) -difuran and -dithiophene, thieno (2,3-e) benzofuran, thieno (3,2-e) benzofuran, thieno (3,2-g) benzofuran, thieno (2,3-g) benzofuran, benzofuran, benzothiophene and phenanthrene. The calculated π-electron transitions and their oscillator strengths are in good agreement with known absorption spectra. The resemblance of these spectra to the absorption spectra of phenanthrene and phenanthrolines is discussed.

Experimental and theoretical study of the THz absorption spectra of selected tripeptides

2005 ◽  
Author(s):  
Frank Rutz ◽  
R. Wilk ◽  
T. Kleine-Ostmann ◽  
J. Grunenberg ◽  
Martin Koch
Keyword(s):  
Absorption Spectra ◽  
Theoretical Study ◽  
Thz Absorption

scholarly journals Theoretical study of the X-ray absorption spectra of small formic acid clusters

2006 ◽  
Vol 419 (4-6) ◽  
pp. 501-505 ◽  
Author(s):  
Osamu Takahashi ◽  
Saiko Yamanouchi ◽  
Keisuke Yamamoto ◽  
Kiyohiko Tabayashi
Keyword(s):  
Formic Acid ◽  
Absorption Spectra ◽  
Theoretical Study ◽  
X Ray ◽  
X Ray Absorption
Sign in / Sign up

Export Citation Format

Share Document