A complete shape characterization for molecular charge densities represented by Gaussian‐type functions
- 1 March 1991
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 12 (2) , 220-230
- https://doi.org/10.1002/jcc.540120212
Abstract
No abstract availableKeywords
This publication has 20 references indexed in Scilit:
- Shape group theory of van der Waals surfacesJournal of Mathematical Chemistry, 1989
- Global and local relative convexity and oriented relative convexity; application to molecular shapes in external fieldsJournal of Mathematical Chemistry, 1988
- Shape group studies of molecular similarity: Shape groups and shape graphs of molecular contour surfacesJournal of Mathematical Chemistry, 1988
- Shape group studies of molecular similarity and regioselectivity in chemical reactionsJournal of Computational Chemistry, 1988
- Shape characterization of some molecular model surfacesJournal of Computational Chemistry, 1988
- Description of molecular surface shape using Fourier descriptorsJournal of Molecular Graphics, 1988
- Shape group studies of molecular similarity: relative shapes of Van der Waals and electrostatic potential surfaces of nicotinic agonistsJournal of Molecular Graphics, 1988
- Shape description of conformationally flexible molecules: Application to two-dimensional conformational problemsInternational Journal of Quantum Chemistry, 1988
- A method for the characterization of molecular conformationsInternational Journal of Quantum Chemistry, 1987
- A semi-empirical method for calculating molecular similarityJournal of the Chemical Society, Chemical Communications, 1986