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image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Theoretical Chemistr...arrow_drop_down
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Theoretical Chemistry Accounts
Article . 1966 . Peer-reviewed
License: Springer TDM
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Theoretical studies in the chemistry and physics of heterocycles

I. The ?-electron system and U.V. spectrum of pyrrole
Authors: Paolo Chiorboli; Augusto Rastelli; Fabio Momicchioli;

Theoretical studies in the chemistry and physics of heterocycles

Abstract

LCAO-SCF calculations with four different sets of parameters are given for the π-electron structure of pyrrole. The aim was mainly to discuss whether such a kind of calculations could account for the molecular properties, or the σ system ought to be explicitly included. The effects of different values for the integrals were discussed by comparing final results, concerning both the ground state and the excited states. A good agreement with experimental data was obtained. The usual limited configuration mixing on our SCF results, leading to a poor agreement for the energies as well as to a lack of qualitative sequence of intensities, does not allow a clear interpretation of the U.V. spectrum.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
24
Average
Top 10%
Top 10%
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