Calculation and visualization of a reactivity index for organometallics based on the extended Hückel model
- 1 March 1991
- journal article
- Published by Elsevier in Journal of Molecular Structure: THEOCHEM
- Vol. 227, 175-185
- https://doi.org/10.1016/0166-1280(91)85282-c
Abstract
No abstract availableKeywords
This publication has 22 references indexed in Scilit:
- The modelling of nucleophilic and electrophilic additions to organometallic complexes using molecular graphics techniquesJournal of Computer-Aided Molecular Design, 1988
- Computer‐Assisted Molecular Design (CAMD)—An OverviewAngewandte Chemie International Edition in English, 1987
- Reaction potential map analysis of site selectivity of acrylic acid and acrylonitrileJournal of Molecular Structure: THEOCHEM, 1987
- Modeling chemical reactivity. 1. Regioselectivity of Diels-Alder cycloadditions of electron-rich dienes with electron-deficient dienophilesJournal of the American Chemical Society, 1986
- Chemical ideograms and molecular computer graphicsThe Visual Computer, 1985
- Reaction potential map analysis of chemical reactivity?IIITheoretical Chemistry Accounts, 1984
- A semiempirical formulation for the study of molecular interactionsJournal of Computational Chemistry, 1982
- Electrostatic potential molecular surfaces.Proceedings of the National Academy of Sciences, 1982
- Interactions between nucleic acid bases in hydrogen bonded and stacked configurations: The role of the molecular charge distributionInternational Journal of Quantum Chemistry, 1981
- Real-Time Color Graphics in Studies of Molecular InteractionsScience, 1981