Improving convergence in force field calculations
- 31 March 1968
- journal article
- research article
- Published by Elsevier in Spectrochimica Acta Part A: Molecular Spectroscopy
- Vol. 24 (3), 300-301
- https://doi.org/10.1016/0584-8539(68)80078-9
Abstract
No abstract availableKeywords
This publication has 3 references indexed in Scilit:
- The calculation of force constants and normal co-ordinates—VII Normal co-ordinates in the E species of alleneSpectrochimica Acta Part A: Molecular Spectroscopy, 1967
- Machine computation of force constants—I. Problems of convergence and degree of indeterminacy of computed best-fit valuesSpectrochimica Acta Part A: Molecular Spectroscopy, 1967
- The calculation of force constants and normal co-ordinates—III: Constrained force fields for the methyl halidesSpectrochimica Acta, 1963