## Abstract Calculations with B3LYP within quantum chemical density functional theory have been carried out for 1β__H__βphosphininium cation and a series of 1β__R__βphosphininium molecules (R = cyclopentadiene, Ξ± and Ξ² pyrroles, Ξ± and Ξ² phosphole, C~5~BH~5~ο£Ώ and CH~2~ο£Ώ). The negative nuclearβindepe
Assessment of Aromaticity via Molecular Response Properties
β Scribed by Paolo Lazzeretti
- Publisher
- John Wiley and Sons
- Year
- 2004
- Weight
- 51 KB
- Volume
- 35
- Category
- Article
- ISSN
- 0931-7597
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## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a βFull Textβ option. The original article is trackable v
We present the theory of the electron propagator perturbed by an external electric field and show how it can be used to calculate a variety of one-electron linear response properties that are accurate through second order in electron correlation. Some illustrative calculations are discussed.