Assignment of electronic transitions by geometry optimization

This publication has 44 references indexed in Scilit:

• Electronic spectra of nucleic acid bases: Variable electronegativity calculations and an analysis of existing results
  International Journal of Quantum Chemistry, 1980
• Configuration interaction study of the electronic spectrum of furan
  Chemical Physics, 1980
• SINDO1 II. Application to ground states of molecules containing carbon, nitrogen and oxygen atoms
  Theoretical Chemistry Accounts, 1980
• SINDO1. A semiempirical SCF MO method for molecular binding energy and geometry I. Approximations and parametrization
  Theoretical Chemistry Accounts, 1980
• Ab initio study of the ¹ A ₁, ã ³ A″ and à ¹ A″ states of formaldehyde
  Molecular Physics, 1979
• A non-empirical SCF and CI study of the electronic spectrum of pyrrole
  Chemical Physics Letters, 1978
• All-valence-electron CI treatment of the electronic spectrum of trans-butadiene
  Chemical Physics Letters, 1976
• An intermediate neglect of differential overlap technique for spectroscopy: Pyrrole and the azines
  Theoretical Chemistry Accounts, 1973
• Interpretation of rotational constants of the first singlet excited state of substituted benzenes in terms of molecular geometry
  Molecular Physics, 1970
• Use of the CNDO Method in Spectroscopy. I. Benzene, Pyridine, and the Diazines
  The Journal of Chemical Physics, 1968