Geometries and Energies of Nitrobenzene Studied by CAS-SCF Calculations

M. Takezaki, N. Hirota, M. Terazima, H. Sato, T. Nakajima and S. Kato

nitrobenzene, CAS, ab initio,excited states, MO calculation


Geometries and Energies of Nitrobenzene Studied by CAS-SCF Calculations

J. Phys. Chem. A

101

28

5190

5195