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Can I read Neural Modeling of Torsional Potential Hypersurfaces in Non-rigid Molecules on EtoBox?
Neural Modeling of Torsional Potential Hypersurfaces in Non-rigid Molecules by Camelia Muñoz-Caro; Alfonso Niño is a Chemistry article available to read on EtoBox.
What is Neural Modeling of Torsional Potential Hypersurfaces in Non-rigid Molecules about?
AbstractÐThis paper presents a study on the ability of neural networks to model torsional potential hypersurfaces in non-rigid molecules. Using the potential function for the methyl torsion of acetaldehyde, we ®nd that standard models do not represent accurately periodic function in its full range of de®nition. However, the functions are correctly described in any non-periodic zone. This behaviour arises from the periodic nature of the actual function and from the local character of the training methods. A new periodic activation function is de®ned, which enhances greatly the results for the periodic and non-periodic cases. The new activation function permits description of any periodic function of any number of arguments using a neural network with only one hidden layer.
Who reads Neural Modeling of Torsional Potential Hypersurfaces in Non-rigid Molecules?
It is typically read by researchers, students, and practitioners in Chemistry.
- Author
- Camelia Muñoz-Caro; Alfonso Niño
- Publisher
- Elsevier Science; Elsevier ; Pergamon Press Ltd.; Elsevier BV (ISSN 0097-8485)
- Published
- 1998
- Language
- EN
- Field
- Chemistry (Physical Sciences)