Theoretical studies of molecular conformation. Derivation of an additive procedure for the computation of intramolecular interaction energies. Comparison withab initio SCF computations

This publication has 24 references indexed in Scilit:

• The calculation of molecular electrostatic potential from a multipole expansion based on localized orbitals and developed at their centroids: Accuracy and applicability for macromolecular computations
  Theoretical Chemistry Accounts, 1982
• Molecular electrostatic potential of the nucleic acids
  Quarterly Reviews of Biophysics, 1981
• A theoretical study of the selective alkali and alkaline-earth cation binding properties of valinomycin
  International Journal of Quantum Chemistry, 1981
• Intermolecular chelation of two serine phosphates by Ca2+ and Mg2+. A theoretical structural investigation
  Biochimica et Biophysica Acta (BBA) - Biomembranes, 1980
• Molecular electrostatic potential of the B‐DNA helix. I. Region of the guanine–cytosine base pair
  International Journal of Quantum Chemistry, 1979
• A theoretical study of the interaction of ammonium and guanidinium ions with the phosphodiester linkage
  Theoretical Chemistry Accounts, 1979
• Atomic coreless Hartree–Fock pseudopotentials for atoms K through Zn
  The Journal of Chemical Physics, 1978
• On the use of pseudopotentials in molecular calculations
  Theoretical Chemistry Accounts, 1978
• Barriers to Rotation and Inversion
  Published by Springer Nature ,1977
• Ab initioeffective potentials for use in molecular quantum mechanics
  Physical Review A, 1974