Calculation of quadratic molecular potential constants by the method of damped least squares
β Scribed by Robert R. Hart
- Publisher
- Elsevier Science
- Year
- 1965
- Tongue
- English
- Weight
- 111 KB
- Volume
- 17
- Category
- Article
- ISSN
- 0022-2852
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π SIMILAR VOLUMES
## Abstract A method for simulating threeβdimensional molecular structure is presented. The method can satisfy any number of constraints on the molecular structure. The constraints can pertain to the constancy of individual distances and angles or be related to pointβgroup symmetry. A simulated thr
A computer program has been developed that calculates, using the weighted least-squares technique, the overall formation constants, Bi, of mononuclear complexes, the standard deviations of Bi, SDV,, and an estimate of goodness of fit, Goodness-of-Fit Parameter (GOFP), given a set of average ligand n