Counterpoise orbital basis in SCF computations of conformational energies of molecules

This publication has 20 references indexed in Scilit:

• Hartree—Fock calculation of the barrier to internal rotation in hydrogen peroxide
  Chemical Physics Letters, 1971
• Accurate SCF Calculation for Ammonia and Its Inversion Motion
  The Journal of Chemical Physics, 1971
• Study of the Electronic Structure of Molecules. XIII. Bond Energy Analysis for the Ethane Molecule
  The Journal of Chemical Physics, 1971
• The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
  Molecular Physics, 1970
• Electronic Structure and Inversion Barrier of Ammonia
  The Journal of Chemical Physics, 1970
• Relaxation during internal rotation ethane and hydrogen peroxyde
  Theoretical Chemistry Accounts, 1970
• Comments on “geometrical changes during the internal rotation in ethane”
  Chemical Physics Letters, 1969
• Distortional effects on the ethane internal rotation barrier and rotation barriers in borazane and methylsilane
  Chemical Physics Letters, 1969
• Quantum mechanical calculations on barriers to internal rotation
  Theoretical Chemistry Accounts, 1968
• Study of the Electronic Structure of Molecules. I. Molecular Wavefunctions and Their Analysis
  The Journal of Chemical Physics, 1967