STUDYING THE VIBRATION FREQUENCIES OF CORANNULENE AND IT'S POSITIVE AND NEGATIVE RADICAL IONS USING QUANTUM MECHANICAL CALCULATIONS
STUDYING THE VIBRATION FREQUENCIES OF CORANNULENE AND IT'S POSITIVE AND NEGATIVE RADICAL IONS USING QUANTUM MECHANICAL CALCULATIONS

REHAB M. KUBBA; MANAL AL-DELEIMY; MUTHANA SHANSHAL

Volume 5, Issue 2 , August 2011, , Page 32-48

https://doi.org/10.37652/juaps.2011.44100

Abstract
  The vibration frequencies, IR absorption intensities and normal coordinates of the Corannulene radical cation and anion were calculated applying the MINDO/3, PM3, (DFT (B3LYP/6- 311G)) ...  Read More ...
COMPARISION STUDY OF VIBRATION FREQUENCIES WITH BOND ORDERS OF CH AND CC BONDS IN CORONENE AND IT'S POSITIVE AND NEGATIVE RADICAL IONS USING QUANTUM MECHANICAL CALCULATIONS
COMPARISION STUDY OF VIBRATION FREQUENCIES WITH BOND ORDERS OF CH AND CC BONDS IN CORONENE AND IT'S POSITIVE AND NEGATIVE RADICAL IONS USING QUANTUM MECHANICAL CALCULATIONS

MUTHANA SHANSHAL; MANAL AL-DELEIMY; REHAB M. KUBBA

Volume 5, Issue 1 , April 2011, , Page 44-60

https://doi.org/10.37652/juaps.2011.15457

Abstract
  Vibration frequencies, IR absorption intensities and normal coordinates of the Coronene radical cation and anion were calculated applying the semiemperical methods MINDO/3 and PM3, ...  Read More ...