Internal-to-cartesian back transformation of molecular geometry steps using high-order geometric derivatives.
Vladimir V. RybkinUlf EkströmTrygve HelgakerPublished in: J. Comput. Chem. (2013)
Keyphrases
- high order
- higher order
- three dimensional
- low order
- pairwise
- geometric features
- lower order
- fourth order
- geometric structure
- geometric constraints
- geometric information
- geometry theorem proving
- partial differential equations
- projective geometry
- geometric transformations
- markov random field
- bayesian logistic regression
- zernike moments
- affine transformation
- geometric models
- d objects
- information geometry