|
224. FINITE: Finite Perturbation Calculation of NMR
Coupling Constants
by Neil S. Ostlund, Department of Chemistry, University of Arkansas, Fayetteville, Arkansas 72701 This is a complete program which performs CNDO and INDO molecular orbital calculations of the Fermi contact contribution to indirect nuclear spin-spin coupling constants using the finite perturbation technique. FORTRAN IV Lines of Code: 1564 Recommended Citation: N. S. Ostlund, QCPE 11, 224 (1972). |