Multireference Configuration Interaction Calculations of Electronic States of N-Methylformamide, Acetamide, and N-Methylacetamide

This publication has 25 references indexed in Scilit:

• A combined theoretical and experimental determination of the electronic spectrum of acetone
  The Journal of Chemical Physics, 1996
• A theoretical determination of the electronic spectrum of formaldehyde
  Theoretical Chemistry Accounts, 1995
• Vibrational properties of the peptide group: achiral and chiral conformers of N-methylacetamide
  The Journal of Physical Chemistry, 1994
• The excited states of pyrazine: A basis set study
  Theoretical Chemistry Accounts, 1994
• Internally contracted multiconfiguration-reference configuration interaction calculations for excited states
  Theoretical Chemistry Accounts, 1992
• Low energy helium diffraction studies of CH3Br overlayers physisorbed on C(0001), NaCl(001), and LiF(001) surfaces
  The Journal of Chemical Physics, 1992
• Temperature coefficients of the rates of chlorine atom reactions with C2H6, C2H5, and C2H4. The rates of disproportionation and recombination of ethyl radicals
  Journal of the American Chemical Society, 1991
• Vibrational analysis of the electronic spectrum of ethylene based onab initio SCF-CI calculations
  Theoretical Chemistry Accounts, 1972
• Rotatory properties of molecules containing two peptide groups: theory
  The Journal of Physical Chemistry, 1969
• Optical Rotation of Oriented Helices. III. Calculation of the Rotatory Dispersion and Circular Dichroism of the Alpha- and 310-Helix
  The Journal of Chemical Physics, 1967