This article presents a general method and accurate algorithm for calculating the Cartesian coordi- nates (x,,y,,z,) from an arbitrary triple of distances r(u,i), angles, O(u,j,k), or dihedral angles $(u,Z,m,n), specifying the position of the nucleus u relative to nuclei i , . . . ., n with known Ca
Calculation of coordinates from molecular geometric parameters and the concept of a geometric calculator
✍ Scribed by Hanno Essén; Mats Svensson
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 715 KB
- Volume
- 20
- Category
- Article
- ISSN
- 0097-8485
No coin nor oath required. For personal study only.
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