CNDO/2 calculations and energy partitioning in the formation of acrylonitrile and propiolonitrile from acetylene and hydrocyanic acid

This publication has 7 references indexed in Scilit:

• Study of intermediate species involved in the formation of acrylonitrile—I
  Tetrahedron, 1972
• Energy partitioning with the CNDO method
  Theoretical Chemistry Accounts, 1970
• Quantum chemistry of nitrogen compounds. V. L.c.a.o.–m.o.–s.c.f. calculations on HCN using a basis set of Gaussian orbitals
  Canadian Journal of Chemistry, 1967
• Approximate Self-Consistent Molecular Orbital Theory. III. CNDO Results for AB2 and AB3 Systems
  The Journal of Chemical Physics, 1966
• Microwave Spectrum, Molecular Structure of Vinyl Cyanide and a Summary of CC, CH Bond Lengths in Simple Molecules
  The Journal of Chemical Physics, 1959
• Determination of Molecular Structures from Ground State Rotational Constants
  The Journal of Chemical Physics, 1958
• Application of Eller's Optical Machine to the Determination of the Molecular Structure of Gases by Electron Diffraction. II. Nonrigid Molecules
  The Journal of Chemical Physics, 1952